TL;DR: N-(3-chloro-4-methylphenyl)-2-{[1-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]sulfanyl}acetamide (CAS 893388-09-5) is a chemical compound with molecular formula C20H20ClN3O3S and molecular weight 417.0914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-chloro-4-methylphenyl)-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide
Also Known As: N-(3-chloro-4-methylphenyl)-2-{[1-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]sulfanyl}acetamide, F1872-0387, N-(3-chloro-4-methylphenyl)-2-((1-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl)thio)acetamide, N-(3-chloro-4-methylphenyl)-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide
| Molecular Formula | C20H20ClN3O3S |
| Molecular Weight | 417.0914 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.0914 Da |
| Heavy Atoms | 28 |
| Complexity | 515.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CN2C3=C(C=C(C=C3)OC)OC)Cl |
| InChIKey | OXHGOJZXBVMSEY-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that N-(3-chloro-4-methylphenyl)-2-{[1-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-methylphenyl)-2-{[1-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(3-chloro-4-methylphenyl)-2-{[1-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(3-chloro-4-methylphenyl)-2-{[1-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]sulfanyl}acetamide is 893388-09-5.
The molecular formula of N-(3-chloro-4-methylphenyl)-2-{[1-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]sulfanyl}acetamide is C20H20ClN3O3S.
The molecular weight of N-(3-chloro-4-methylphenyl)-2-{[1-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]sulfanyl}acetamide is 417.0914 g/mol.
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