Basic information
- Standard SMILES
C(=C\c1nc2ccccc2n1-c1ccccn1)/c1ccncc1.O=C(O)C(=O)O- InChIKey
BFQMLHWJXVMARY-HRNDJLQDSA-N- Molecular formula
- C21H16N4O4
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.117155
Names & identifiers
- Preferred name
- (E)-1-(2-Pyridyl)-2-[2-(4-pyridyl)ethenyl]-1H-benzimidazole oxalate
- IUPAC
- oxalic acid;1-pyridin-2-yl-2-[(E)-2-pyridin-4-ylethenyl]benzimidazole
Names & synonyms
SCHEMBL6835798BFQMLHWJXVMARY-HRNDJLQDSA-N(E)-1-(2-Pyridyl)-2-[2-(4-pyridyl)ethenyl]-1H-benzimidazole oxalate
Database identifiers
- PubChem CID
- 22736688
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Compound notes
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