2-(chloromethyl)-4-nitro-1H-benzimidazole
TL;DR: 2-(chloromethyl)-4-nitro-1H-benzimidazole (CAS 99876-68-3) is a chemical compound with molecular formula C8H6ClN3O2 and molecular weight 211.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-4-nitro-1H-benzimidazole
Also Known As: 2-(chloromethyl)-4-nitro-1H-benzimidazole, 2-chloromethyl-4-nitro-1H-benzimidazole, 1H-Benzimidazole, 2-(chloromethyl)-7-nitro-, 2-(Chloromethyl)-7-nitro-1H-benzo[d]imidazole, 2-(chloromethyl)-4-nitro-1H-benzoimidazole
| Molecular Formula | C8H6ClN3O2 |
|---|---|
| Molecular Weight | 211.01 g/mol |
| LogP | 2.2099 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.01485 |
| Heavy Atoms | 14 |
| Complexity | 494.29208 |
Chemical Identifiers
| CAS Number | 99876-68-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(N2)CCl |
Product Overview
2-(chloromethyl)-4-nitro-1H-benzimidazole (CAS 99876-68-3), with molecular formula C8H6ClN3O2 and molecular weight 211.01 g/mol. IUPAC: 2-(chloromethyl)-4-nitro-1H-benzimidazole.
Chemical Property Profile of 2-(chloromethyl)-4-nitro-1H-benzimidazole
Property Insights of 2-(chloromethyl)-4-nitro-1H-benzimidazole
The XLogP value of 2.2099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(chloromethyl)-4-nitro-1H-benzimidazole. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(chloromethyl)-4-nitro-1H-benzimidazole. Following Lipinski's Rule of Five, 2-(chloromethyl)-4-nitro-1H-benzimidazole 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 2-(chloromethyl)-4-nitro-1H-benzimidazole?
The CAS number of 2-(chloromethyl)-4-nitro-1H-benzimidazole is 99876-68-3.
What is the molecular formula of 2-(chloromethyl)-4-nitro-1H-benzimidazole?
The molecular formula of 2-(chloromethyl)-4-nitro-1H-benzimidazole is C8H6ClN3O2.
What is the molecular weight of 2-(chloromethyl)-4-nitro-1H-benzimidazole?
The molecular weight of 2-(chloromethyl)-4-nitro-1H-benzimidazole is 211.01 g/mol.
Where can I buy 2-(chloromethyl)-4-nitro-1H-benzimidazole?
You can request a quote for 2-(chloromethyl)-4-nitro-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(chloromethyl)-4-nitro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(chloromethyl)-4-nitro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.