TL;DR: 3-(5-chloro-1-methyl-1H-imidazol-2-yl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one (CAS 122183-23-7) is a chemical compound with molecular formula C13H10Cl2N2O2 and molecular weight 296.01193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(5-chloro-2-hydroxyphenyl)-3-(5-chloro-1-methylimidazol-2-yl)prop-2-en-1-one
Also Known As: 3-(5-chloro-1-methyl-1H-imidazol-2-yl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one, (E)-1-(5-chloro-2-hydroxyphenyl)-3-(5-chloro-1-methylimidazol-2-yl)prop-2-en-1-one, AE-848/31939001, 1-(5-Chloro-2-hydroxy-phenyl)-3-(5-chloro-1-methyl-1h-imidazol-2-yl)-propenone, (E)-1-(5-Chloro-2-hydroxy-phenyl)-3-(5-chloro-1-methyl-1H-imidazol-2-yl)-propenone
| Molecular Formula | C13H10Cl2N2O2 |
| Molecular Weight | 296.01193 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.01193 Da |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
| SMILES | CN1C(=CN=C1/C=C/C(=O)C2=C(C=CC(=C2)Cl)O)Cl |
| InChIKey | HOFXWHWZEHOWPR-SNAWJCMRSA-N |
The XLogP value of 3.6 indicates that 3-(5-chloro-1-methyl-1H-imidazol-2-yl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(5-chloro-1-methyl-1H-imidazol-2-yl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-chloro-1-methyl-1H-imidazol-2-yl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one 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-(5-chloro-1-methyl-1H-imidazol-2-yl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one is 122183-23-7.
The molecular formula of 3-(5-chloro-1-methyl-1H-imidazol-2-yl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one is C13H10Cl2N2O2.
The molecular weight of 3-(5-chloro-1-methyl-1H-imidazol-2-yl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one is 296.01193 g/mol.
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