1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole
TL;DR: 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole (CAS 349085-05-8) is a chemical compound with molecular formula C16H12ClN3O3 and molecular weight 329.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-5-nitrophenyl)-(5,6-dimethylbenzimidazol-1-yl)methanone
Also Known As: BIM-0004134.P001, 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole, 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-1,3-benzodiazole, F3386-5070, (2-chloro-5-nitrophenyl)-(5,6-dimethylbenzimidazol-1-yl)methanone
| Molecular Formula | C16H12ClN3O3 |
|---|---|
| Molecular Weight | 329.06 g/mol |
| LogP | 3.90324 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.05673 |
| Heavy Atoms | 23 |
| Complexity | 962.604 |
Chemical Identifiers
| CAS Number | 349085-05-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole (CAS 349085-05-8), with molecular formula C16H12ClN3O3 and molecular weight 329.06 g/mol. IUPAC: (2-chloro-5-nitrophenyl)-(5,6-dimethylbenzimidazol-1-yl)methanone.
Chemical Property Profile of 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole
Property Insights of 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole
The XLogP value of 3.90324 indicates that 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole. Following Lipinski's Rule of Five, 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole has 0 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 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole?
The CAS number of 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole is 349085-05-8.
What is the molecular formula of 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole?
The molecular formula of 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole is C16H12ClN3O3.
What is the molecular weight of 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole?
The molecular weight of 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole is 329.06 g/mol.
Where can I buy 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole?
You can request a quote for 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chloro-5-nitrobenzoyl)-5,6-dimethyl-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.