1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole
TL;DR: 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole (CAS 129247-50-3) is a chemical compound with molecular formula C11H8F3N3O2 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-(4-nitrophenyl)-4-(trifluoromethyl)imidazole
Also Known As: 1-methyl-5-(4-nitrophenyl)-4-(trifluoromethyl)imidazole, AE-848/32960045, 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole, 1-Methyl-5-(4-nitrophenyl)-4-(trifluoromethyl)-1H-imidazole, 5-{4-nitrophenyl}-1-methyl-4-(trifluoromethyl)-1H-imidazole
| Molecular Formula | C11H8F3N3O2 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 3.0141 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.05685 |
| Heavy Atoms | 19 |
| Complexity | 617.1059 |
Chemical Identifiers
| CAS Number | 129247-50-3 |
|---|---|
| SMILES | CN1C=NC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F |
Product Overview
1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole (CAS 129247-50-3), with molecular formula C11H8F3N3O2 and molecular weight 271.06 g/mol. IUPAC: 1-methyl-5-(4-nitrophenyl)-4-(trifluoromethyl)imidazole.
Chemical Property Profile of 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole
Property Insights of 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole
The XLogP value of 3.0141 indicates that 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole 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-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole. Following Lipinski's Rule of Five, 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole 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-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole?
The CAS number of 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole is 129247-50-3.
What is the molecular formula of 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole?
The molecular formula of 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole is C11H8F3N3O2.
What is the molecular weight of 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole?
The molecular weight of 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole is 271.06 g/mol.
Where can I buy 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole?
You can request a quote for 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-trifluoromethyl-5-(4-nitrophenyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.