1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole
TL;DR: 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole (CAS 478030-52-3) is a chemical compound with molecular formula C15H10F3N3O2 and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-nitrophenyl)methyl]-2-(trifluoromethyl)benzimidazole
Also Known As: 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole, 1-[(3-nitrophenyl)methyl]-2-(trifluoromethyl)benzimidazole, 1-[(3-nitrophenyl)methyl]-2-(trifluoromethyl)-1H-1,3-benzodiazole, 2R-1557
| Molecular Formula | C15H10F3N3O2 |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 4.0116 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0725 |
| Heavy Atoms | 23 |
| Complexity | 887.0496 |
Chemical Identifiers
| CAS Number | 478030-52-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F |
Product Overview
1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole (CAS 478030-52-3), with molecular formula C15H10F3N3O2 and molecular weight 321.07 g/mol. IUPAC: 1-[(3-nitrophenyl)methyl]-2-(trifluoromethyl)benzimidazole.
Chemical Property Profile of 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole
Property Insights of 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole
The XLogP value of 4.0116 indicates that 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole. Following Lipinski's Rule of Five, 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole has 0 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 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole?
The CAS number of 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole is 478030-52-3.
What is the molecular formula of 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole?
The molecular formula of 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole is C15H10F3N3O2.
What is the molecular weight of 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole?
The molecular weight of 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole is 321.07 g/mol.
Where can I buy 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole?
You can request a quote for 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-nitrobenzyl)-2-(trifluoromethyl)-1H-1,3-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.