Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)-
TL;DR: Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)- (CAS 89427-25-8) is a chemical compound with molecular formula C9H2Cl2F3N3 and molecular weight 278.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dichloro-2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile
Also Known As: Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)-, 4,5-Dichloro-2-(trifluoromethyl)benzimidazole-6-carbonitrile, 1H-Benzimidazol-5-carbonitrile, 6,7-dichloro-2-(trifluoromethyl)-, 6,7-dichloro-2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile, 4,5-Dichloro-2-(trifluoromethyl)-1H-1,3-benzimidazole-6-carbonitrile
| Molecular Formula | C9H2Cl2F3N3 |
|---|---|
| Molecular Weight | 278.96 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.9578 |
| Heavy Atoms | 17 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 89427-25-8 |
|---|---|
| SMILES | C1=C(C(=C(C2=C1NC(=N2)C(F)(F)F)Cl)Cl)C#N |
| InChIKey | HKGDOOBSWGGNPM-UHFFFAOYSA-N |
Product Overview
Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)- (CAS 89427-25-8), with molecular formula C9H2Cl2F3N3 and molecular weight 278.96 g/mol. IUPAC: 6,7-dichloro-2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile.
Chemical Property Profile of Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)-
Property Insights of Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)-
The XLogP value of 3.0 indicates that Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.5 Ų, Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzimidazole-6-carbonitrile, 4,5-dichloro-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, 4,5-dichloro-2-(trifluoromethyl)-?
The CAS number of Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)- is 89427-25-8.
What is the molecular formula of Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)-?
The molecular formula of Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)- is C9H2Cl2F3N3.
What is the molecular weight of Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)-?
The molecular weight of Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)- is 278.96 g/mol.
Where can I buy Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)-?
You can request a quote for Benzimidazole-6-carbonitrile, 4,5-dichloro-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, 4,5-dichloro-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole-6-carbonitrile, 4,5-dichloro-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.