Basic information
- CAS
80477-79-8- Standard SMILES
Cc1cccc2nc(-c3ccccn3)n(CCc3ccncc3)c12- InChIKey
XNYKMZXPMSTPAP-UHFFFAOYSA-N- Molecular formula
- C20H18N4
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.15314659
Names & identifiers
- Preferred name
- 7-Methyl-2-pyridin-2-yl-1-(2-pyridin-4-ylethyl)benzimidazole
- IUPAC
- 7-methyl-2-pyridin-2-yl-1-(2-pyridin-4-ylethyl)benzimidazole
Names & synonyms
NSC35679380477-79-8DTXSID00320255NSC-3567937-Methyl-2-(pyridin-2-yl)-1-[2-(pyridin-4-yl)ethyl]-1H-1,3-benzimidazole
Database identifiers
- CAS
80477-79-8- PubChem CID
- 337755
- DTXSID
DTXSID00320255
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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