N-(benzimidazol-1-yl)nitramide
TL;DR: N-(benzimidazol-1-yl)nitramide (CAS 52096-22-7) is a chemical compound with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzimidazol-1-yl)nitramide
Also Known As: N-(benzimidazol-1-yl)nitramide, 1H-Benzimidazol-1-amine, N-nitro- (9CI)
| Molecular Formula | C7H6N4O2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 0.7715 |
| Topological Polar Surface Area | 72.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.04907 |
| Heavy Atoms | 13 |
| Complexity | 450.44418 |
Chemical Identifiers
| CAS Number | 52096-22-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2N[N+](=O)[O-] |
Product Overview
N-(benzimidazol-1-yl)nitramide (CAS 52096-22-7), with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol. IUPAC: N-(benzimidazol-1-yl)nitramide.
Chemical Property Profile of N-(benzimidazol-1-yl)nitramide
Property Insights of N-(benzimidazol-1-yl)nitramide
The XLogP value of 0.7715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(benzimidazol-1-yl)nitramide. The TPSA of 72.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(benzimidazol-1-yl)nitramide. Following Lipinski's Rule of Five, N-(benzimidazol-1-yl)nitramide 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 N-(benzimidazol-1-yl)nitramide?
The CAS number of N-(benzimidazol-1-yl)nitramide is 52096-22-7.
What is the molecular formula of N-(benzimidazol-1-yl)nitramide?
The molecular formula of N-(benzimidazol-1-yl)nitramide is C7H6N4O2.
What is the molecular weight of N-(benzimidazol-1-yl)nitramide?
The molecular weight of N-(benzimidazol-1-yl)nitramide is 178.05 g/mol.
Where can I buy N-(benzimidazol-1-yl)nitramide?
You can request a quote for N-(benzimidazol-1-yl)nitramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(benzimidazol-1-yl)nitramide?
Yes, KEHONG BIO provides custom synthesis services for N-(benzimidazol-1-yl)nitramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.