TL;DR: 3-Pentanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl- (CAS 107659-24-5) is a chemical compound with molecular formula C15H16Cl2N2O2 and molecular weight 326.05887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4-dichlorophenyl)-2-hydroxy-1-imidazol-1-yl-4-methylpentan-3-one
Also Known As: 3-Pentanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl-, 3-Hexanone,2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-, 2-(2,4-dichlorophenyl)-2-hydroxy-1-imidazol-1-yl-4-methylpentan-3-one, 2-(2,4-dichlorophenyl)-2-hydroxy-1-imidazol-1-yl-4-methyl-pentan-3-one, 2-(2,4-Dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methylpentan-3-one
| Molecular Formula | C15H16Cl2N2O2 |
| Molecular Weight | 326.05887 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.05887 Da |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
| SMILES | CC(C)C(=O)C(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O |
| InChIKey | WZBSGTBOTMKCDR-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl-. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Pentanone, 2-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl- is 107659-24-5.
The molecular formula of 3-Pentanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl- is C15H16Cl2N2O2.
The molecular weight of 3-Pentanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-4-methyl- is 326.05887 g/mol.
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