TL;DR: 4-methyl-1-[4-(propan-2-yl)phenyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one (CAS 1008283-53-1) is a chemical compound with molecular formula C13H16N2OS and molecular weight 248.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: 4-methyl-1-[4-(propan-2-yl)phenyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one, 3-(4-isopropylphenyl)-2-mercapto-5-methyl-3,5-dihydro-4H-imidazol-4-one, 5-methyl-3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one, 3-(4-isopropylphenyl)-5-methyl-2-thioxo-imidazolidin-4-one, 3-(4-isopropylphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C13H16N2OS |
| Molecular Weight | 248.09833 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.09833 Da |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
| SMILES | CC1C(=O)N(C(=S)N1)C2=CC=C(C=C2)C(C)C |
| InChIKey | IJXWITBMUVNKRK-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-1-[4-(propan-2-yl)phenyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-1-[4-(propan-2-yl)phenyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one. Following Lipinski's Rule of Five, 4-methyl-1-[4-(propan-2-yl)phenyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-methyl-1-[4-(propan-2-yl)phenyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one is 1008283-53-1.
The molecular formula of 4-methyl-1-[4-(propan-2-yl)phenyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one is C13H16N2OS.
The molecular weight of 4-methyl-1-[4-(propan-2-yl)phenyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one is 248.09833 g/mol.
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