TL;DR: Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride (CAS 128433-23-8) is a chemical compound with molecular formula C18H16Cl3N3O2S and molecular weight 443.00287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
Also Known As: Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride, 2-(2-(delta-2-Imidazolinyl)thio)-2'-orthochlorobenzoyl-4'-chloroacetanilide hydrochloride, N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide hydrochloride, N-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-2-[(4,5-dihydro-1H-imidazol-2-yl)sulfanyl]acetamide--hydrogen chloride (1/1)
| Molecular Formula | C18H16Cl3N3O2S |
| Molecular Weight | 443.00287 g/mol |
| XLogP | 4.2771 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.00287 Da |
| Heavy Atoms | 27 |
| Complexity | 561.0 |
| SMILES | C1CN=C(N1)SCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl.Cl |
| InChIKey | LKESZYPTPRRTHF-UHFFFAOYSA-N |
The XLogP value of 4.2771 indicates that Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride. Following Lipinski's Rule of Five, Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride has 3 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-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride is 128433-23-8.
The molecular formula of Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride is C18H16Cl3N3O2S.
The molecular weight of Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((4,5-dihydro-1H-imidazol-2-yl)thio)-, monohydrochloride is 443.00287 g/mol.
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