TL;DR: 2-Amino-1-(4-chlorobenzyl)-5-trifluoromethylbenzimidazole (CAS 150493-34-8) is a chemical compound with molecular formula C15H11ClF3N3 and molecular weight 325.05936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
Also Known As: NS 638, 2-Amino-1-(4-chlorobenzyl)-5-trifluoromethylbenzimidazole, 1-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine, 1H-Benzimidazol-2-amine, 1-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-, 2-amino-1- -5-trifluoromethylbenzimidazole
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H11ClF3N3 |
| Molecular Weight | 325.05936 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.05936 Da |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
| SMILES | C1=CC(=CC=C1CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2N)Cl |
| InChIKey | GXQCVUZORDAARJ-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 2-Amino-1-(4-chlorobenzyl)-5-trifluoromethylbenzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, 2-Amino-1-(4-chlorobenzyl)-5-trifluoromethylbenzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-1-(4-chlorobenzyl)-5-trifluoromethylbenzimidazole has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Amino-1-(4-chlorobenzyl)-5-trifluoromethylbenzimidazole is 150493-34-8.
The molecular formula of 2-Amino-1-(4-chlorobenzyl)-5-trifluoromethylbenzimidazole is C15H11ClF3N3.
The molecular weight of 2-Amino-1-(4-chlorobenzyl)-5-trifluoromethylbenzimidazole is 325.05936 g/mol.
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