Basic information
- Standard SMILES
CC(C)c1nc(COCc2ccccc2)n(C)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
CQEPKEULAYVOIN-UHFFFAOYSA-N- Molecular formula
- C21H22Cl2N2OS
- Average molar mass
- 421.4 g/mol
Names & identifiers
- Preferred name
- 2-benzyloxymethyl-5-(3,5-dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole
- IUPAC
- 5-(3,5-dichlorophenyl)sulfanyl-1-methyl-2-(phenylmethoxymethyl)-4-propan-2-ylimidazole
Names & synonyms
SCHEMBL6969238CQEPKEULAYVOIN-UHFFFAOYSA-N2-benzyloxymethyl-5-(3,5-dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole
Database identifiers
- PubChem CID
- 22130503
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 440
Related reactions
5 records
Compound notes
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