Basic information
- Standard SMILES
COc1ccc(/C=C/c2nc3ccccc3n2-c2ccccn2)cc1OC.O=C(O)C(=O)O- InChIKey
LYILOMHBLOJUGJ-BNSHTTSQSA-N- Molecular formula
- C24H21N3O6
- Average molar mass
- 447.4 g/mol
Names & identifiers
- Preferred name
- (E)-3,4-Dimethoxystyryl-1-(2-pyridyl)-1H-benzimidazole oxalate
- IUPAC
- 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole;oxalic acid
Names & synonyms
SCHEMBL6843880LYILOMHBLOJUGJ-BNSHTTSQSA-N(E)-3 4-Dimethoxystyryl-1-(2-pyridyl)-1H-benzimidazole oxalate(E)-3,4-Dimethoxystyryl-1-(2-pyridyl)-1H-benzimidazole oxalate
Database identifiers
- PubChem CID
- 69914538
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 571
Related reactions
2 records
Compound notes
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