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Basic information
- CAS
178980-54-6- Standard SMILES
CC(C)c1nc(CO)n(CCO)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
OIBSRXRRBAKURB-UHFFFAOYSA-N- Molecular formula
- C15H18Cl2N2O2S
- Average molar mass
- 361.3 g/mol
- Monoisotopic mass
- 360.0466044
Names & identifiers
- Preferred name
- 1H-Imidazole-1-ethanol, 5-((3,5-dichlorophenyl)thio)-2-(hydroxymethyl)-4-(1-methylethyl)-
- IUPAC
- 2-[5-(3,5-dichlorophenyl)sulfanyl-2-(hydroxymethyl)-4-propan-2-ylimidazol-1-yl]ethanol
Names & synonyms
178980-54-61H-Imidazole-1-ethanol, 5-((3,5-dichlorophenyl)thio)-2-(hydroxymethyl)-4-(1-methylethyl)-1H-Imidazole-1-ethanol, 5-[(3,5-dichlorophenyl)thio]-2-(hydroxymethyl)-4-(1-methylethyl)-SCHEMBL6962277DTXSID40170736OIBSRXRRBAKURB-UHFFFAOYSA-N2-(5-(3,5-dichlorophenyl-thio)-2-hydroxymethyl-4-isopropyl-1H-imidazol-1-yl)ethanol2-[5-(3,5-dichlorophenyl)sulfanyl-2-(hydroxymethyl)-4-isopropyl-imidazol-1-yl]ethanol2-{5-[(3,5-Dichlorophenyl)sulfanyl]-2-(hydroxymethyl)-4-(propan-2-yl)-1H-imidazol-1-yl}ethan-1-ol
Database identifiers
- CAS
178980-54-6- PubChem CID
- 474091
- DTXSID
DTXSID40170736
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 342
Related reactions
1 records
Compound notes
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