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1‑Isopropenyl‑2‑benzimidazolidinone (IUPAC: 1,3‑dihydro‑1‑(1‑methylethenyl)‑2H‑benzimidazol‑2‑one, also known as 1‑isopropenyl‑1,3‑dihydro‑2H‑benzimidazol‑2‑one and 1‑(prop‑1‑en‑2‑yl)‑1,3‑dihydro‑2H‑benzo[d]imidazol‑2‑one, CAS: 52099‑72‑6) is an N‑vinyl‑substituted benzimidazolone derivative with the molecular formula C₁₀H₁₀N₂O and a molecular weight of 174.20 g/mol. It appears as a white to light‑yellow crystalline powder, with a melting point range of 122‑126 °C (reference value 124 °C), a measured density of approximately 1.2 g/cm³, and a room‑temperature shelf life of at least two years when properly stored. The structure features an isopropenyl group attached to the nitrogen atom of the central benzimidazol‑2‑one core, creating a rigid bicyclic system with two key reactive sites: a nucleophilic secondary amine (the free –NH of the imidazolidinone ring) and an electrophilic N‑isopropenyl substituent that can participate in polymerization reactions.

This unique heterocyclic backbone places the compound at the intersection of several high‑value industrial sectors: it serves as a critical pharmaceutical intermediate for approved active pharmaceutical ingredients (APIs), a privileged fragment‑based scaffold for targeted drug discovery (particularly kinase inhibitors and antiviral agents), and a specialized photoinitiator for advanced UV‑curable coating formulations.

Core Application Fields and Market Demand

1. Pharmaceutical Synthesis — The Dominant Demand Driver (≈65‑70% of total consumption). The benzimidazolidinone core is a well‑established heterocyclic motif in drug discovery. 1‑Isopropenyl‑2‑benzimidazolidinone is explicitly listed as a key intermediate in the synthesis of flibanserin (a non‑hormonal medication approved by the FDA in 2015 for the treatment of hypoactive sexual desire disorder in premenopausal women), as well as in the multi‑step synthesis of domperidone (a dopamine antagonist used as an antiemetic and gastroprokinetic agent) and certain benzimidazole‑based potassium‑competitive acid blockers (P‑CABs) for peptic ulcer therapy. Additionally, the compound serves as a reference standard for impurity profiling in generic formulations of these blockbuster drugs, supporting regulatory filings under the European Pharmacopoeia and the US FDA. The global market for central nervous system and gastrointestinal drugs continues to expand, with 1‑isopropenyl‑2‑benzimidazolidinone occupying a critical position at the front end of this value chain.

2. Fragment‑Based Drug Discovery and Kinase Inhibitor Development (≈20‑25% of total consumption). As a fragment molecule, this compound serves as an important scaffold for molecular linking, expansion, and modification, providing a structural basis and research tool for the design and screening of novel drug candidates. The rigid bicyclic benzimidazolone core mimics the purine-like templates present in ATP‑binding sites, making it an ideal hinge‑binding motif for the development of tyrosine kinase inhibitors (TKIs) and other kinase‑targeted therapeutics. Benzimidazolone derivatives have been extensively investigated as multi‑kinase inhibitors with activity against VEGFR‑2, c‑Met, and PIM‑1 (IC₅₀ values ranging from 0.081 ± 0.003 to 0.433 ± 0.017 μg/mL), as well as selective inhibitors of the protein‑protein interaction between BCL6 and its co‑repressors for the treatment of diffuse large B‑cell lymphoma (DLBCL). The growing global oncology drug market, projected to exceed USD 300 billion by 2030, continues to drive demand for diverse heterocyclic fragments such as this compound.

3. Antiviral API Development. Benzimidazolone derivatives have been patented as antiviral agents for the treatment of respiratory syncytial virus (RSV) and other viral infections. The class of 1‑substituted 2‑(3′‑N‑substituted 2‑oxo‑benzimidazolylmethyl)‑benzimidazoles exhibits significant antiviral activity against RSV by targeting viral fusion mechanisms. 1‑Isopropenyl‑2‑benzimidazolidinone serves as a versatile building block for accessing this privileged heterocyclic space, accelerating structure‑activity relationship (SAR) campaigns.

4. Organic Photoinitiator for UV‑Curable Systems (≈10‑15% of total consumption). The N‑isopropenyl substituent enables the compound to act as a specialized photoinitiator for photocuring systems, absorbing light energy and releasing active species that initiate free‑radical polymerization in UV‑curable formulations. This property is utilized in the preparation of light‑cured coatings, adhesives (glues), and printing inks, offering advantages such as fast curing speeds, low volatile organic compound (VOC) emissions, and high formulation compatibility with conventional acrylic monomers.

5. Flibanserin and Domperidone Impurity Reference Standards. The compound is listed in major global chemical databases as a high‑purity reference standard for flibanserin impurity 10 and domperidone impurity 22, serving as a quality control benchmark for regulatory filings. The compound‘s suitability as a certified reference material (CRM) has been validated by ISO‑accredited standard producers, ensuring batch‑to‑batch consistency and full traceability to primary analytical standards.

Major Market Participants

The global supply system for 1‑isopropenyl‑2‑benzimidazolidinone follows a pattern of specialized pharmaceutical intermediate and heterocyclic fragment manufacturers, with production concentrated in China, India, Europe, Japan, and North America. Widely recognized as a flibanserin intermediate, domperidone intermediate, and pharmaceutical impurity standard, the compound is typically supplied as a white to light‑yellow crystalline powder with purity ranging from 95 % to ≥99 %. Key international suppliers include TCI Chemicals (purity >98.0 %, melting point 122‑126 °C), Sigma‑Aldrich (purity 98+ %), Alfa Aesar (purity 98+ %), Toronto Research Chemicals, BOC Sciences, and Aladdin Bio‑Chem. Shanghai XinChem Co., Ltd. has established a reliable, fully quality‑controlled supply chain for high‑purity 1‑isopropenyl‑2‑benzimidazolidinone (CAS 52099‑72‑6). Our product meets rigorous pharmaceutical intermediate specifications — purity ≥98‑99 % (GC), white to light‑yellow crystalline powder, molecular weight 174.20 g/mol, melting point 122‑126 °C, MDL MFCD00218253, and moisture <0.5 % — fully compliant with global API manufacturing, fragment‑based drug discovery, and UV‑curing technology standards. XinChem is well‑positioned to serve the growing global demand from pharmaceutical API manufacturers, contract research organizations (CROs), custom synthesis providers, and specialty coating formulators.

Regional Market Dynamics

Asia‑Pacific, and China in particular, is the largest and fastest‑growing region for benzimidazolone intermediate production. Chinese manufacturers dominate the global supply of 1‑isopropenyl‑2‑benzimidazolidinone, producing high‑purity material at highly competitive prices for flibanserin and domperidone API synthesis. India‘s rapidly expanding generic pharmaceutical sector — including generic flibanserin and domperidone production for export to emerging markets — also drives substantial volume demand. North America and Europe represent mature but high‑value markets, with stringent quality requirements (purity ≥99 %, full impurity documentation, ICH Q3C and Q3D compliance) and the highest concentration of kinase inhibitor discovery programs. Japan and South Korea demand ultra‑high‑purity grades (≥99.5 %) for advanced drug development and reference standard applications. The compound is supplied in laboratory R&D quantities (1 g, 5 g, 10 g, 25 g, 50 g, 100 g, 500 g) and industrial bulk scales (1 kg, 5 kg, 10 kg, 25 kg, 50 kg, 100 kg). According to industry pricing data, 1‑isopropenyl‑2‑benzimidazolidinone of 98+ % purity from major international suppliers is priced in the range of approximately USD 15‑20 per gram. Larger purchases (25 g, 100 g, 1 kg, and multi‑kilogram quantities) are available at significantly lower per‑unit prices.

Storage, Stability, and Regulatory Considerations

The compound should be stored below 15 °C in a tightly sealed, dry, light‑protected container, under inert gas (nitrogen or argon) to prevent air‑sensitive degradation. The compound is stable for up to three years when stored as a powder at -20 °C and for up to two years at 2‑8 °C. Solutions in DMSO are stable for up to one year at -80 °C. In the European Union, it is subject to REACH regulations; importers and manufacturers must provide Safety Data Sheets (SDS). In the United States, it is regulated under TSCA as a research chemical; for pharmaceutical API use, adherence to cGMP guidelines (21 CFR Parts 210/211) is required. In China, the compound is listed in the Inventory of Existing Chemical Substances (IECSC), with customs HS Codes 2933.99.7900 or 2933.99.8290. The compound is classified with acute toxicity Category 4, hazard statement H302 (Harmful if swallowed), and may cause skin, eye, and respiratory tract irritation (R36/37/38). Recommended precautionary measures include S22 (Do not breathe dust), S24/25 (Avoid contact with skin and eyes), and S45 (In case of accident or if you feel unwell, seek medical advice immediately). The GHS signal word is “Warning”. Transportation risk: UN 2810, 6.1/PG 3.

Future Outlook

The market outlook for 1‑isopropenyl‑2‑benzimidazolidinone is tied to five core drivers: (1) the continued commercial success and generic expansion of flibanserin and domperidone — with flibanserin sales growth driven by expansion into new geographic markets and domperidone sustaining demand as a cornerstone gastroprokinetic agent globally; (2) the increasing adoption of fragment‑based drug discovery (FBDD) in pharmaceutical R&D, with privileged benzimidazole heterocycles as a constant presence in high‑throughput screening libraries for oncology, neurology, and infectious disease targets; (3) the expansion of the global UV‑curable coatings market, where the demand for photoinitiators grows in parallel with the shift away from high‑VOC solvent‑based systems; (4) the need for high‑purity impurity reference standards in regulated markets, where generic drug manufacturers face increasing pressure to demonstrate full impurity profiling for regulatory approval; and (5) the rapid growth of Asian CRO/CDMO sectors supplying intermediates and fragments to global pharmaceutical companies. Enterprises should focus on securing high‑purity (≥99 %) production capabilities, maintaining rigorous impurity documentation for pharmaceutical regulatory filings (including heavy metals by ICP‑MS and residual solvents by GC‑headspace), and building long‑term supply partnerships with API manufacturers, drug discovery CROs, and specialty chemical formulators.

Shanghai XinChem Co., Ltd. (XinChem)

As a world‑leading supplier of pharmaceutical intermediates, heterocyclic building blocks, and specialty organic chemicals, Shanghai XinChem Co., Ltd. (XinChem) has always focused on the innovative needs of the API manufacturing, drug discovery, and specialty coating industries. Relying on core advantages in multi‑step heterocyclic synthesis, purification, and quality assurance, we provide high‑quality 1‑Isopropenyl‑2‑benzimidazolidinone (CAS 52099‑72‑6) to global customers.

1. Technical Advantages

High Purity & Consistency: Our product achieves purity ≥98‑99 % (GC), white to light‑yellow crystalline powder, molecular weight 174.20 g/mol, melting point 122‑126 °C, MDL MFCD00218253, and moisture <0.5 % (KF titration). The isopropenyl‑substituted benzimidazolone core is fully characterized by HPLC, GC, and NMR to confirm structural identity and purity.
Low Impurity Profile: Strict control of residual solvents (<0.5 % total), heavy metals (≤10 ppm, ICH Q3D compliant), and related substances ensures high synthetic performance for API synthesis and fragment‑based drug discovery.
Pharmaceutical‑Grade Quality: The compound is tested for suitability as a certified reference material (CRM), with full traceability to primary analytical standards and ISO‑accredited quality management systems.
Batch‑to‑Batch Uniformity: Rigorous analytical testing (GC, HPLC, NMR, LC‑MS, heavy metals by ICP‑MS, residual solvents by GC‑headspace) guarantees consistent quality across all production lots.

2. Product Advantages

Versatile N‑Isopropenyl Benzimidazolone Scaffold: Directly used as a critical pharmaceutical intermediate for flibanserin API (HSDD treatment), domperidone API (antiemetic), and other benzimidazole‑based APIs.
Privileged Kinase Inhibitor Fragment: The rigid heterocyclic benzimidazolone core serves as an ideal hinge‑binding motif for tyrosine kinase inhibitor (TKI) development and fragment‑based drug discovery (FBDD) campaigns targeting VEGFR‑2, c‑Met, PIM‑1, and BCL6.
Antiviral Building Block: Key synthetic precursor for 1‑substituted benzimidazole derivatives with proven activity against respiratory syncytial virus (RSV) and other viral targets.
Specialty Organic Photoinitiator: The N‑isopropenyl group enables use as a photoinitiator for UV‑curable coatings, adhesives, and printing inks, offering fast curing speeds and low VOC emissions.
GMP‑Compliant Pharmaceutical Intermediate: Full regulatory documentation support (DMF for pharmaceutical customers, impurity profiling for reference standard applications) available.
Flexible Packaging Options: 1 g, 5 g, 10 g, 25 g, 50 g, 100 g, 500 g glass bottles (R&D); 1 kg HDPE containers (pilot); 5 kg, 10 kg, 25 kg, 50 kg, 100 kg fiber drums (industrial). Full custom packaging available.
Reliable Supply Chain: Annual capacity in the multi‑metric‑ton range, with dedicated temperature‑controlled warehousing (≤15 °C, under inert gas, dry, light‑protected, sealed containers) and just‑in‑time delivery capabilities.

3. Application Fields

Pharmaceutical Intermediates: Key building block for flibanserin (hypoactive sexual desire disorder), domperidone (antiemetic, gastroprokinetic), potassium‑competitive acid blockers (P‑CABs) for peptic ulcer therapy, and benzimidazole‑based drug candidates.
Fragment‑Based Drug Discovery (FBDD): Privileged fragment scaffold for kinase inhibitor development (VEGFR‑2, c‑Met, PIM‑1, BCL6), protein‑protein interaction modulators, and antiviral agents (RSV).
API Impurity Reference Standards: High‑purity reference material for flibanserin impurity 10 and domperidone impurity 22, supporting regulatory filings under ICH guidelines.
Organic Photoinitiators: UV‑curable coatings, adhesives (glues), printing inks, photopolymer formulations, and 3D printing resins.
Antiviral API Development: Building block for 1‑substituted benzimidazole derivatives targeting respiratory syncytial virus (RSV) fusion mechanisms.
CRO/CDMO Custom Synthesis: Essential custom‑synthesized fragment for medicinal chemistry outsourcing, hit‑to‑lead optimization, and preclinical toxicology studies.

4. Service Support
Our technical team provides full impurity profiling (GC purity, residual solvents by GC‑headspace, heavy metals by ICP‑MS, LC‑MS identity confirmation), custom purification to any desired specification, and complete regulatory documentation (Certificate of Analysis, Technical Data Sheet, Safety Data Sheet, REACH compliance, TSCA certification, DMF support for pharmaceutical customers). We also offer custom synthesis of benzimidazolone derivatives, cold‑chain logistics, and just‑in‑time delivery.

5. Why Choose XinChem

Professionalism: 20 + years in the pharmaceutical intermediate, heterocyclic synthesis, and specialty chemical industries.
Flexibility: Tailored to customer purity specifications, packaging sizes, and regulatory documentation requirements.
Cost‑effectiveness: High purity at competitive industrial pricing.

Post time: Jun-01-2026

A Versatile Pharmaceutical Intermediate for Kinase Inhibitors, Antiviral APIs & Organic Photoinitiators: 1-Isopropenyl-2-benzimidazolidinone (CAS 52099-72-6)