2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole
TL;DR: 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole (CAS 72422-04-9) is a chemical compound with molecular formula C11H11F3N2O and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole
Also Known As: 2-(3-trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole, 2-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole, 2-{[3-(trifluoromethyl)phenoxy]methyl}-4,5-dihydro-1h-imidazole
| Molecular Formula | C11H11F3N2O |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.08235 |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 72422-04-9 |
|---|---|
| SMILES | C1CN=C(N1)COC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | MJFFRCJEPJXPOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole (CAS 72422-04-9), with molecular formula C11H11F3N2O and molecular weight 244.08 g/mol. IUPAC: 2-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole.
Chemical Property Profile of 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole
Property Insights of 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole. With a topological polar surface area (TPSA) of 33.6 Ų, 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole has 1 hydrogen bond donor(s) and 5 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-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole?
The CAS number of 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole is 72422-04-9.
What is the molecular formula of 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole?
The molecular formula of 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole is C11H11F3N2O.
What is the molecular weight of 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole?
The molecular weight of 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole is 244.08 g/mol.
Where can I buy 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole?
You can request a quote for 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Trifluoromethyl-phenoxymethyl)-4,5-dihydro-1h-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.