Basic information
- Standard SMILES
N#Cc1ccc(Cn2cncc2CCl)cc1- InChIKey
NCJBTZGRLAGOIB-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3
- Average molar mass
- 231.68 g/mol
- Monoisotopic mass
- 231.056325
Names & identifiers
- Preferred name
- 1-(4-Cyanobenzyl)-5-(chloromethyl)imidazole
- IUPAC
- 4-[[5-(chloromethyl)imidazol-1-yl]methyl]benzonitrile
Names & synonyms
186202-42-6SCHEMBL7083825NCJBTZGRLAGOIB-UHFFFAOYSA-NDA-089071-(4-cyanobenzyl)-5-chloromethylimidazole1-(4'-cyanobenzyl)-5-chloromethylimidazole1-(4-Cyanobenzyl)-5-(chloromethyl)imidazol1-(4-Cyanobenzyl)-5-Chloromethyl-imidazole1 -(4-Cyanobenzyl)-5-(chloromethyl)imidazol1-(4-Cyanobenzyl)-5-(chloromethyl)-imidazol1-(4-Cyanobenzyl)-5-(chloromethyl)imidazole1-(4-Cyanobenzyl)-5-(chloromethyl)-imidazole
Database identifiers
- PubChem CID
- 9795358
- Nikkaji
- J1.895.166E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Related reactions
27 records
Compound notes
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