TL;DR: Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride (CAS 128433-22-7) is a chemical compound with molecular formula C19H19Cl2N3O2S and molecular weight 423.0575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide;hydrochloride
Also Known As: Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride, N-Methyl-2-(2-(delta-2-imidazolinyl)thio)-2'-benzoyl-4'-chloroacetanilide hydrochloride, N-(2-benzoyl-4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-methylacetamide hydrochloride, N-(2-Benzoyl-4-chlorophenyl)-2-[(4,5-dihydro-1H-imidazol-2-yl)sulfanyl]-N-methylacetamide--hydrogen chloride (1/1)
| Molecular Formula | C19H19Cl2N3O2S |
| Molecular Weight | 423.0575 g/mol |
| XLogP | 3.648 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.0575 Da |
| Heavy Atoms | 27 |
| Complexity | 551.0 |
| SMILES | CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CSC3=NCCN3.Cl |
| InChIKey | CFTGYIGLOHNKGF-UHFFFAOYSA-N |
The XLogP value of 3.648 indicates that Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride. Following Lipinski's Rule of Five, Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride is 128433-22-7.
The molecular formula of Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride is C19H19Cl2N3O2S.
The molecular weight of Acetamide, N-(2-benzoyl-4-chlorophenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride is 423.0575 g/mol.
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