1H-苯并咪唑-2-乙腈
TL;DR: 1H-苯并咪唑-2-乙腈 (CAS 4414-88-4) is a chemical compound with molecular formula C9H7N3 and molecular weight 157.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-苯并咪唑-2-乙腈
2-(1H-benzimidazol-2-yl)acetonitrile
Also Known As: (2-Benzimidazolyl)acetonitrile, 2-(Cyanomethyl)benzimidazole, 1H-Benzimidazole-2-acetonitrile, 2-Cyanomethylbenzimidazole, 2-Benzimidazolylacetonitrile
| Molecular Formula | C9H7N3 |
|---|---|
| Molecular Weight | 157.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.064 |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 4414-88-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CC#N |
| InChIKey | BWOVACANEIVHST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-苯并咪唑-2-乙腈 (CAS 4414-88-4), with molecular formula C9H7N3 and molecular weight 157.06 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)acetonitrile.
Chemical Property Profile of 1H-苯并咪唑-2-乙腈
Property Insights of 1H-苯并咪唑-2-乙腈
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-苯并咪唑-2-乙腈. With a topological polar surface area (TPSA) of 52.5 Ų, 1H-苯并咪唑-2-乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-苯并咪唑-2-乙腈 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-苯并咪唑-2-乙腈?
The CAS number of 1H-苯并咪唑-2-乙腈 is 4414-88-4.
What is the molecular formula of 1H-苯并咪唑-2-乙腈?
The molecular formula of 1H-苯并咪唑-2-乙腈 is C9H7N3.
What is the molecular weight of 1H-苯并咪唑-2-乙腈?
The molecular weight of 1H-苯并咪唑-2-乙腈 is 157.06 g/mol.
Where can I buy 1H-苯并咪唑-2-乙腈?
You can request a quote for 1H-苯并咪唑-2-乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-苯并咪唑-2-乙腈?
Yes, KEHONG BIO provides custom synthesis services for 1H-苯并咪唑-2-乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.