Basic information
- CAS
178980-57-9- Standard SMILES
CC(C)c1nc(CCCO)n(CCO)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
NPPKBDURPNVCRH-UHFFFAOYSA-N- Molecular formula
- C17H22Cl2N2O2S
- Average molar mass
- 389.3 g/mol
- Monoisotopic mass
- 388.0779045
Names & identifiers
- Preferred name
- 1H-Imidazole-2-propanol, 5-((3,5-dichlorophenyl)thio)-1-(2-hydroxyethyl)-4-(1-methylethyl)-
- IUPAC
- 3-[5-(3,5-dichlorophenyl)sulfanyl-1-(2-hydroxyethyl)-4-propan-2-ylimidazol-2-yl]propan-1-ol
Names & synonyms
178980-57-91H-Imidazole-2-propanol, 5-((3,5-dichlorophenyl)thio)-1-(2-hydroxyethyl)-4-(1-methylethyl)-3-(5-((3,5-Dichlorophenyl)thio)-1-(2-hydroxyethyl)-4-isopropyl-1H-imidazol-2-yl)propan-1-ol1H-Imidazole-2-propanol, 5-[(3,5-dichlorophenyl)thio]-1-(2-hydroxyethyl)-4-(1-methylethyl)-SCHEMBL6962002DTXSID60170738NPPKBDURPNVCRH-UHFFFAOYSA-N3-(5-(3,5-dichlorophenylthio)-1-(2-hydroxyethyl)-4-isopropyl-1H-imidazol-2-yl)-propan-1-ol3-[5-(3,5-dichlorophenyl)sulfanyl-1-(2-hydroxyethyl)-4-isopropyl-imidazol-2-yl]propan-1-ol3-{5-[(3,5-Dichlorophenyl)sulfanyl]-1-(2-hydroxyethyl)-4-(propan-2-yl)-1H-imidazol-2-yl}propan-1-ol
Database identifiers
- CAS
178980-57-9- PubChem CID
- 474102
- DTXSID
DTXSID60170738
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 368
Related reactions
4 records
Compound notes
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