2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile
TL;DR: 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile (CAS 3671-61-2) is a chemical compound with molecular formula C9H4F3N3 and molecular weight 211.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile
Also Known As: 5-cyano-2-trifluoromethylbenzimidazole, BENZIMIDAZOLE-5-CARBONITRILE, 2-(TRIFLUOROMETHYL)-, 2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile, 2-(Trifluoromethyl)-1H-benzo[d]imidazole-5-carbonitrile, 2-(Trifluoromethyl)benzimidazole-5-carbonitrile
| Molecular Formula | C9H4F3N3 |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.03574 |
| Heavy Atoms | 15 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 3671-61-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1C#N)NC(=N2)C(F)(F)F |
| InChIKey | PMISAFNVEGVLSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile (CAS 3671-61-2), with molecular formula C9H4F3N3 and molecular weight 211.04 g/mol. IUPAC: 2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile.
Chemical Property Profile of 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile
Property Insights of 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile. With a topological polar surface area (TPSA) of 52.5 Ų, 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile?
The CAS number of 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile is 3671-61-2.
What is the molecular formula of 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile?
The molecular formula of 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile is C9H4F3N3.
What is the molecular weight of 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile?
The molecular weight of 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile is 211.04 g/mol.
Where can I buy 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile?
You can request a quote for 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)-1H-benzimidazole-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.