Basic information
- CAS
80477-87-8- Standard SMILES
O=[N+]([O-])c1cccc2nc(-c3ccccn3)n(CCc3ccncc3)c12- InChIKey
ZJPSQBIMYZDBMF-UHFFFAOYSA-N- Molecular formula
- C19H15N5O2
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.12257474
Names & identifiers
- Preferred name
- 7-Nitro-2-pyridin-2-yl-1-(2-pyridin-4-ylethyl)benzimidazole
- IUPAC
- 7-nitro-2-pyridin-2-yl-1-(2-pyridin-4-ylethyl)benzimidazole
Names & synonyms
NSC35678280477-87-8DTXSID70320247NSC-3567827-Nitro-2-(pyridin-2-yl)-1-[2-(pyridin-4-yl)ethyl]-1H-1,3-benzimidazole
Database identifiers
- CAS
80477-87-8- PubChem CID
- 337744
- DTXSID
DTXSID70320247
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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