1H-Benzimidazole-2-acetonitrile, 5-nitro-
TL;DR: 1H-Benzimidazole-2-acetonitrile, 5-nitro- (CAS 5852-10-8) is a chemical compound with molecular formula C9H6N4O2 and molecular weight 202.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-nitro-1H-benzimidazol-2-yl)acetonitrile
Also Known As: 2-(Cyanomethyl)-5-nitrobenzimidazole, 1H-Benzimidazole-2-acetonitrile, 5-nitro-, 2-(6-nitro-1H-benzimidazol-2-yl)acetonitrile, 1H-Benzimidazole-2-acetonitrile, 6-nitro-, 1H-Benzimidazole-2-acetonitrile,5-nitro
| Molecular Formula | C9H6N4O2 |
|---|---|
| Molecular Weight | 202.05 g/mol |
| LogP | 1.53718 |
| Topological Polar Surface Area | 95.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.04907 |
| Heavy Atoms | 15 |
| Complexity | 566.9863 |
Chemical Identifiers
| CAS Number | 5852-10-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CC#N |
Product Overview
1H-Benzimidazole-2-acetonitrile, 5-nitro- (CAS 5852-10-8), with molecular formula C9H6N4O2 and molecular weight 202.05 g/mol. IUPAC: 2-(6-nitro-1H-benzimidazol-2-yl)acetonitrile.
Chemical Property Profile of 1H-Benzimidazole-2-acetonitrile, 5-nitro-
Property Insights of 1H-Benzimidazole-2-acetonitrile, 5-nitro-
The XLogP value of 1.53718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole-2-acetonitrile, 5-nitro-. The TPSA of 95.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole-2-acetonitrile, 5-nitro-. Following Lipinski's Rule of Five, 1H-Benzimidazole-2-acetonitrile, 5-nitro- has 1 hydrogen bond donor(s) and 4 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-acetonitrile, 5-nitro-?
The CAS number of 1H-Benzimidazole-2-acetonitrile, 5-nitro- is 5852-10-8.
What is the molecular formula of 1H-Benzimidazole-2-acetonitrile, 5-nitro-?
The molecular formula of 1H-Benzimidazole-2-acetonitrile, 5-nitro- is C9H6N4O2.
What is the molecular weight of 1H-Benzimidazole-2-acetonitrile, 5-nitro-?
The molecular weight of 1H-Benzimidazole-2-acetonitrile, 5-nitro- is 202.05 g/mol.
Where can I buy 1H-Benzimidazole-2-acetonitrile, 5-nitro-?
You can request a quote for 1H-Benzimidazole-2-acetonitrile, 5-nitro- 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-acetonitrile, 5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole-2-acetonitrile, 5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.