1H-benzimidazole-2-carbonitrile
TL;DR: 1H-benzimidazole-2-carbonitrile (CAS 6868-37-7) is a chemical compound with molecular formula C8H5N3 and molecular weight 143.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-benzimidazole-2-carbonitrile
Also Known As: 1H-benzimidazole-2-carbonitrile, 1H-Benzo[d]imidazole-2-carbonitrile, 2-cyanobenzimidazole, 2-BENZIMIDAZOLCARBONITRILE, benzimidazole-2-nitrile
| Molecular Formula | C8H5N3 |
|---|---|
| Molecular Weight | 143.05 g/mol |
| LogP | 1.43458 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.04834 |
| Heavy Atoms | 11 |
| Complexity | 389.07495 |
Chemical Identifiers
| CAS Number | 6868-37-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C#N |
Product Overview
1H-benzimidazole-2-carbonitrile (CAS 6868-37-7), with molecular formula C8H5N3 and molecular weight 143.05 g/mol. IUPAC: 1H-benzimidazole-2-carbonitrile.
Chemical Property Profile of 1H-benzimidazole-2-carbonitrile
Property Insights of 1H-benzimidazole-2-carbonitrile
The XLogP value of 1.43458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-benzimidazole-2-carbonitrile. With a topological polar surface area (TPSA) of 52.47 Ų, 1H-benzimidazole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-benzimidazole-2-carbonitrile has 1 hydrogen bond donor(s) and 2 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 1H-benzimidazole-2-carbonitrile?
The CAS number of 1H-benzimidazole-2-carbonitrile is 6868-37-7.
What is the molecular formula of 1H-benzimidazole-2-carbonitrile?
The molecular formula of 1H-benzimidazole-2-carbonitrile is C8H5N3.
What is the molecular weight of 1H-benzimidazole-2-carbonitrile?
The molecular weight of 1H-benzimidazole-2-carbonitrile is 143.05 g/mol.
Where can I buy 1H-benzimidazole-2-carbonitrile?
You can request a quote for 1H-benzimidazole-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-benzimidazole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1H-benzimidazole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.