Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-
TL;DR: Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)- (CAS 89427-07-6) is a chemical compound with molecular formula C9H3ClF3N3 and molecular weight 245.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile
Also Known As: 4-Chloro-2-(trifluoromethyl)benzimidazole-6-carbonitrile, Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-, 1H-Benzimidazole-5-carbonitrile, 7-chloro-2-(trifluoromethyl)-, 7-chloro-2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile, 4-Chloro-2-(trifluoromethyl)-1H-1,3-benzimidazole-6-carbonitrile
| Molecular Formula | C9H3ClF3N3 |
|---|---|
| Molecular Weight | 245.00 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 | 244.99677 |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 89427-07-6 |
|---|---|
| SMILES | C1=C(C=C(C2=C1NC(=N2)C(F)(F)F)Cl)C#N |
| InChIKey | IRFXRRYWNCENBO-UHFFFAOYSA-N |
Product Overview
Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)- (CAS 89427-07-6), with molecular formula C9H3ClF3N3 and molecular weight 245.00 g/mol. IUPAC: 7-chloro-2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile.
Chemical Property Profile of Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-
Property Insights of Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 52.5 Ų, Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)- 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 Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-?
The CAS number of Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)- is 89427-07-6.
What is the molecular formula of Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-?
The molecular formula of Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)- is C9H3ClF3N3.
What is the molecular weight of Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-?
The molecular weight of Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)- is 245.00 g/mol.
Where can I buy Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-?
You can request a quote for Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.