1-(o-Methylbenzyl)-imidazole-4,5-dinitrile
Basic information
- Standard SMILES
Cc1ccccc1Cn1cnc(C#N)c1C#N- InChIKey
NKZGDSHDEGLKGS-UHFFFAOYSA-N- Molecular formula
- C13H10N4
- Average molar mass
- 222.24 g/mol
Names & identifiers
- Preferred name
- 1-(o-Methylbenzyl)-imidazole-4,5-dinitrile
- IUPAC
- 1-[(2-methylphenyl)methyl]imidazole-4,5-dicarbonitrile
Names & synonyms
SCHEMBL9714509NKZGDSHDEGLKGS-UHFFFAOYSA-N1-(o-methylbenzyl)-imidazole-4,5-dinitrile
Database identifiers
- PubChem CID
- 20031024
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 360
Related reactions
2 records
Compound notes
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