AC1LAS9X
2-[5-(3,5-dichlorophenyl)sulfanyl-1-[(3-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]ethanol
Also Known As: 1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((3-nitrophenyl)methyl)-|2-{5-[(3,5-dichlorophenyl)sulfanyl]-4-(1-methylethyl)-1-(3-nitrobenzyl)-1h-imidazol-2-yl}ethanol|5-(3,5-dichlorophenylthio)-2-(2-hydroxyethyl)-4-isopropyl-1-m-nitrobenzyl-1h-imidazole|1H-Imidazole-2-ethanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-[(3-nitrophenyl)methyl]-|2-[5-(3,5-dichlorophenyl)sulfanyl-1-[(3-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]ethanol|2-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-[(3-nitrophenyl)methyl]imidazol-2-yl]ethanol|2-{5-[(3,5-Dichlorophenyl)sulfanyl]-1-[(3-nitrophenyl)methyl]-4-(propan-2-yl)-1H-imidazol-2-yl}ethan-1-ol
| Molecular Formula | C21H21Cl2N3O3S |
|---|---|
| Molecular Weight | 465.06805 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.06805 |
| Monoisotopic Mass | 465.06805 |
| Heavy Atoms | 30 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 17985-82-9 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)CCO)CC2=CC(=CC=C2)[N+](=O)[O-])SC3=CC(=CC(=C3)Cl)Cl |
| InChIKey | FPLCSFVBLFAHBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1LAS9X (CAS 17985-82-9), with molecular formula C21H21Cl2N3O3S and molecular weight 465.06805 g/mol. IUPAC: 2-[5-(3,5-dichlorophenyl)sulfanyl-1-[(3-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]ethanol.