2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine
TL;DR: 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine (CAS 6953-74-8) is a chemical compound with molecular formula C9H10N6O2 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine
Also Known As: 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine, N''-[(1H-1,3-Benzimidazol-2-yl)methyl]-N-nitroguanidine
| Molecular Formula | C9H10N6O2 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.08652 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 6953-74-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CN=C(N)N[N+](=O)[O-] |
| InChIKey | JHLLIUWROFEAJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine (CAS 6953-74-8), with molecular formula C9H10N6O2 and molecular weight 234.09 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine.
Chemical Property Profile of 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine
Property Insights of 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine has 3 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 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine?
The CAS number of 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine is 6953-74-8.
What is the molecular formula of 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine?
The molecular formula of 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine is C9H10N6O2.
What is the molecular weight of 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine?
The molecular weight of 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine is 234.09 g/mol.
Where can I buy 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine?
You can request a quote for 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-ylmethyl)-1-nitroguanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.