TL;DR: 2-(3-(4-chlorophenethyl)-5-oxo-2-thioxo-1-(3-(trifluoromethyl)phenyl)imidazolidin-4-yl)-N-phenylacetamide (CAS 1042767-52-1) is a chemical compound with molecular formula C26H21ClF3N3O2S and molecular weight 531.0995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-phenylacetamide
Also Known As: 2-(3-(4-chlorophenethyl)-5-oxo-2-thioxo-1-(3-(trifluoromethyl)phenyl)imidazolidin-4-yl)-N-phenylacetamide, 2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-phenylacetamide, 2-{3-[2-(4-CHLOROPHENYL)ETHYL]-5-OXO-2-SULFANYLIDENE-1-[3-(TRIFLUOROMETHYL)PHENYL]IMIDAZOLIDIN-4-YL}-N-PHENYLACETAMIDE, 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-phenylacetamide
| Molecular Formula | C26H21ClF3N3O2S |
| Molecular Weight | 531.0995 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 531.0995 Da |
| Heavy Atoms | 36 |
| Complexity | 800.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=C(C=C3)Cl)C4=CC=CC(=C4)C(F)(F)F |
| InChIKey | QDGQHMAPNQHFLR-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that 2-(3-(4-chlorophenethyl)-5-oxo-2-thioxo-1-(3-(trifluoromethyl)phenyl)imidazolidin-4-yl)-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(4-chlorophenethyl)-5-oxo-2-thioxo-1-(3-(trifluoromethyl)phenyl)imidazolidin-4-yl)-N-phenylacetamide. Following Lipinski's Rule of Five, 2-(3-(4-chlorophenethyl)-5-oxo-2-thioxo-1-(3-(trifluoromethyl)phenyl)imidazolidin-4-yl)-N-phenylacetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(3-(4-chlorophenethyl)-5-oxo-2-thioxo-1-(3-(trifluoromethyl)phenyl)imidazolidin-4-yl)-N-phenylacetamide is 1042767-52-1.
The molecular formula of 2-(3-(4-chlorophenethyl)-5-oxo-2-thioxo-1-(3-(trifluoromethyl)phenyl)imidazolidin-4-yl)-N-phenylacetamide is C26H21ClF3N3O2S.
The molecular weight of 2-(3-(4-chlorophenethyl)-5-oxo-2-thioxo-1-(3-(trifluoromethyl)phenyl)imidazolidin-4-yl)-N-phenylacetamide is 531.0995 g/mol.
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