1-(4'-Hydroxy-3'5'-difluorobenzyl)-2-(methylthio)imidazole
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Basic information
- Standard SMILES
CSc1nccn1Cc1cc(F)c(O)c(F)c1- InChIKey
CIJXYYDIVAIJNB-UHFFFAOYSA-N- Molecular formula
- C11H10F2N2OS
- Average molar mass
- 256.27 g/mol
- Monoisotopic mass
- 256.04819044
Names & identifiers
- Preferred name
- 1-(4'-Hydroxy-3'5'-difluorobenzyl)-2-(methylthio)imidazole
- IUPAC
- 2,6-difluoro-4-[(2-methylsulfanylimidazol-1-yl)methyl]phenol
Names & synonyms
SCHEMBL10624724CIJXYYDIVAIJNB-UHFFFAOYSA-N1-(4'-hydroxy-3'5'-difluorobenzyl)-2-(methylthio)imidazole
Database identifiers
- PubChem CID
- 20140133
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
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Related reactions
1 records
Compound notes
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