1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(4-pyridinylmethyl)-
Basic information
- CAS
178980-79-5- Standard SMILES
CC(C)c1nc(CCO)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
RKMSFJYVGFUKKS-UHFFFAOYSA-N- Molecular formula
- C20H21Cl2N3OS
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 421.0782389
Names & identifiers
- Preferred name
- 1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(4-pyridinylmethyl)-
- IUPAC
- 2-[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]ethanol
Names & synonyms
178980-79-51H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(4-pyridinylmethyl)-1H-Imidazole-2-ethanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(4-pyridinylmethyl)-SCHEMBL6969945DTXSID40170756RKMSFJYVGFUKKS-UHFFFAOYSA-N2-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)imidazol-2-yl]ethanol2-[5-(3,5-dichlorophenylthio)-4-isopropyl-1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl]ethanol2-{5-[(3,5-Dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}ethan-1-ol
Database identifiers
- CAS
178980-79-5- PubChem CID
- 474065
- DTXSID
DTXSID40170756
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 443
Related reactions
2 records
Compound notes
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