1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-
Basic information
- CAS
178980-67-1- Standard SMILES
CC(C)c1nc(CCO)n(Cc2ccccc2[N+](=O)[O-])c1Sc1cc(Cl)cc(Cl)c1- InChIKey
YZUHMVCDFQRXRS-UHFFFAOYSA-N- Molecular formula
- C21H21Cl2N3O3S
- Average molar mass
- 466.4 g/mol
- Monoisotopic mass
- 465.0680681
Names & identifiers
- Preferred name
- 1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-
- IUPAC
- 2-[5-(3,5-dichlorophenyl)sulfanyl-1-[(2-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]ethanol
Names & synonyms
178980-67-11H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-1H-Imidazole-2-ethanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-[(2-nitrophenyl)methyl]-SCHEMBL6972629DTXSID70170744YZUHMVCDFQRXRS-UHFFFAOYSA-N5-(3,5-dichlorophenylthio)-2-(2-hydroxyethyl)-4-isopropyl-1-o-nitrobenzyl-1h-imidazole2-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-[(2-nitrophenyl)methyl]imidazol-2-yl]ethanol2-{5-[(3,5-Dichlorophenyl)sulfanyl]-1-[(2-nitrophenyl)methyl]-4-(propan-2-yl)-1H-imidazol-2-yl}ethan-1-ol
Database identifiers
- CAS
178980-67-1- PubChem CID
- 474074
- DTXSID
DTXSID70170744
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 558
Related reactions
1 records
Compound notes
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