2-Aminobenzimidazole-1-carbonitrile
TL;DR: 2-Aminobenzimidazole-1-carbonitrile (CAS 6337-54-8) is a chemical compound with molecular formula C8H6N4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminobenzimidazole-1-carbonitrile
Also Known As: 2-Aminobenzimidazole-1-carbonitrile, 2-amino-1-cyanobenzimidazole, 1-cyano-2-amino-benzimidazole, 1H-Benzimidazole-1-carbonitrile,2-amino-, 2-aminobenzoimidazole-1-carbonitrile
| Molecular Formula | C8H6N4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.05925 |
| Heavy Atoms | 12 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 6337-54-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N2C#N)N |
| InChIKey | YULINQSNBMAOLL-UHFFFAOYSA-N |
Product Overview
2-Aminobenzimidazole-1-carbonitrile (CAS 6337-54-8), with molecular formula C8H6N4 and molecular weight 158.06 g/mol. IUPAC: 2-aminobenzimidazole-1-carbonitrile.
Chemical Property Profile of 2-Aminobenzimidazole-1-carbonitrile
Property Insights of 2-Aminobenzimidazole-1-carbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Aminobenzimidazole-1-carbonitrile. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Aminobenzimidazole-1-carbonitrile. Following Lipinski's Rule of Five, 2-Aminobenzimidazole-1-carbonitrile has 1 hydrogen bond donor(s) and 3 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-Aminobenzimidazole-1-carbonitrile?
The CAS number of 2-Aminobenzimidazole-1-carbonitrile is 6337-54-8.
What is the molecular formula of 2-Aminobenzimidazole-1-carbonitrile?
The molecular formula of 2-Aminobenzimidazole-1-carbonitrile is C8H6N4.
What is the molecular weight of 2-Aminobenzimidazole-1-carbonitrile?
The molecular weight of 2-Aminobenzimidazole-1-carbonitrile is 158.06 g/mol.
Where can I buy 2-Aminobenzimidazole-1-carbonitrile?
You can request a quote for 2-Aminobenzimidazole-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Aminobenzimidazole-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Aminobenzimidazole-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.