Basic information
- Standard SMILES
N#Cc1ccc(Cn2c(-c3ccc(Cl)cc3O)nc3cc(F)c(F)cc32)cc1- InChIKey
YTLGUGZYKSSFFE-UHFFFAOYSA-N- Molecular formula
- C21H12ClF2N3O
- Average molar mass
- 395.8 g/mol
- Monoisotopic mass
- 395.063696
Names & identifiers
- Preferred name
- 4-[2-(4-Chloro-2-hydroxy-phenyl)-5,6-difluoro-benzoimidazol-1-ylmethyl]-benzonitrile
- IUPAC
- 4-[[2-(4-chloro-2-hydroxyphenyl)-5,6-difluorobenzimidazol-1-yl]methyl]benzonitrile
Names & synonyms
SCHEMBL1482748YTLGUGZYKSSFFE-UHFFFAOYSA-N4-[2-(4-chloro-2-hydroxy-phenyl)-5,6-difluoro-benzoimidazol-1-ylmethyl]-benzonitrile
Database identifiers
- PubChem CID
- 136378495
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
Related reactions
2 records
Compound notes
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