TL;DR: 4-chloro-2-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide (CAS 1005656-76-7) is a chemical compound with molecular formula C19H20ClF3N6O2 and molecular weight 456.12885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
Also Known As: 4-chloro-2-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide, 4-chloro-1-methyl-N-{1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-2-yl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
| Molecular Formula | C19H20ClF3N6O2 |
| Molecular Weight | 456.12885 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 77.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.12885 Da |
| Heavy Atoms | 31 |
| Complexity | 638.0 |
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)Cl)C(=O)NC2=NC3=CC=CC=C3N2CCN4CCOCC4 |
| InChIKey | RLKAMYVQWPMLOD-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-2-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-2-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-chloro-2-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-chloro-2-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide is 1005656-76-7.
The molecular formula of 4-chloro-2-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide is C19H20ClF3N6O2.
The molecular weight of 4-chloro-2-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-5-(trifluoromethyl)pyrazole-3-carboxamide is 456.12885 g/mol.
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