Basic information
- Standard SMILES
Cc1cncn1-c1ccc(Br)cc1C#N- InChIKey
GOHCKODUMPKYBG-UHFFFAOYSA-N- Molecular formula
- C11H8BrN3
- Average molar mass
- 262.1 g/mol
Names & identifiers
- Preferred name
- 5-bromo-2-(5-methyl-1H-imidazol-1-yl)benzonitrile
- IUPAC
- 5-bromo-2-(5-methylimidazol-1-yl)benzonitrile
Names & synonyms
5-bromo-2-(5-methyl-1H-imidazol-1-yl)benzonitrileSCHEMBL1238675GOHCKODUMPKYBG-UHFFFAOYSA-NDB-382048870837-42-6
Database identifiers
- PubChem CID
- 66960765
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
Related reactions
4 records
Compound notes
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