Basic information
- CAS
1035452-45-9- Standard SMILES
C[n+]1cn(-c2ccc([N+](=O)[O-])cn2)c2ccccc21.[I-]- InChIKey
GJDIRQPEZCCGRR-UHFFFAOYSA-M- Molecular formula
- C13H11IN4O2
- Average molar mass
- 382.16 g/mol
- Monoisotopic mass
- 381.99267
Names & identifiers
- Preferred name
- 1-Methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodide
- IUPAC
- 1-methyl-3-(5-nitro-2-pyridinyl)benzimidazol-1-ium iodide
Names & synonyms
NSC692414CHEMBL19970791-methyl-3-(5-nitropyridin-2-yl)benzimidazol-1-ium;iodideNSC-6924141035452-45-9
Database identifiers
- CAS
1035452-45-9- PubChem CID
- 392275
- ChEMBL
CHEMBL1997079
Properties
Computed structural properties
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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