1H-Benzimidazole-6-carbonitrile
TL;DR: 1H-Benzimidazole-6-carbonitrile (CAS 6948-72-7) 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.
3H-benzimidazole-5-carbonitrile
Also Known As: 1H-Benzimidazole-5-carbonitrile, 5-Cyanobenzimidazole, 1H-BENZO[D]IMIDAZOLE-6-CARBONITRILE, null, 1H-Benzimidazole-6-carbonitrile
| Molecular Formula | C8H5N3 |
|---|---|
| Molecular Weight | 143.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.04834 |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 6948-72-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1C#N)NC=N2 |
| InChIKey | NICYTXJGZRYCEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Benzimidazole-6-carbonitrile (CAS 6948-72-7), with molecular formula C8H5N3 and molecular weight 143.05 g/mol. IUPAC: 3H-benzimidazole-5-carbonitrile.
Chemical Property Profile of 1H-Benzimidazole-6-carbonitrile
Property Insights of 1H-Benzimidazole-6-carbonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole-6-carbonitrile. With a topological polar surface area (TPSA) of 52.5 Ų, 1H-Benzimidazole-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzimidazole-6-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-6-carbonitrile?
The CAS number of 1H-Benzimidazole-6-carbonitrile is 6948-72-7.
What is the molecular formula of 1H-Benzimidazole-6-carbonitrile?
The molecular formula of 1H-Benzimidazole-6-carbonitrile is C8H5N3.
What is the molecular weight of 1H-Benzimidazole-6-carbonitrile?
The molecular weight of 1H-Benzimidazole-6-carbonitrile is 143.05 g/mol.
Where can I buy 1H-Benzimidazole-6-carbonitrile?
You can request a quote for 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 1H-Benzimidazole-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.