Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(-c2nc(SCc3ccccc3)[nH]c2-c2ccc(F)cc2)cc1- InChIKey
XZZXUTTXELYKJD-UHFFFAOYSA-N- Molecular formula
- C23H19FN2O2S2
- Average molar mass
- 438.5 g/mol
Names & identifiers
- Preferred name
- 2-Benzylthio-5-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]-1H-imidazole
- IUPAC
- 2-benzylsulfanyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-1H-imidazole
Names & synonyms
SCHEMBL7090797XZZXUTTXELYKJD-UHFFFAOYSA-N2-Benzylthio-5-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]-1H-imidazole
Database identifiers
- PubChem CID
- 18463752
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 634
Related reactions
2 records
Compound notes
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