TL;DR: 3-Pentanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl- (CAS 107659-19-8) is a chemical compound with molecular formula C15H17ClN2O2 and molecular weight 292.09787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-2-hydroxy-1-imidazol-1-yl-4-methylpentan-3-one
Also Known As: 3-Pentanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl-, 3-trifluoromethanesulfonyloxybenzoic acid methyl ester, 2-(4-chlorophenyl)-2-hydroxy-1-imidazol-1-yl-4-methylpentan-3-one, 3-Pentanone,2-(4-chlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl-, 2-(4-Chlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methylpentan-3-one
| Molecular Formula | C15H17ClN2O2 |
| Molecular Weight | 292.09787 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.09787 Da |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
| SMILES | CC(C)C(=O)C(CN1C=CN=C1)(C2=CC=C(C=C2)Cl)O |
| InChIKey | DPLAAXUTVBZPEW-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl-. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Pentanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Pentanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl- is 107659-19-8.
The molecular formula of 3-Pentanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl- is C15H17ClN2O2.
The molecular weight of 3-Pentanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl- is 292.09787 g/mol.
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