Basic information
- CAS
80477-88-9- Standard SMILES
CCOC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2CCc1ccccn1- InChIKey
RRIRQAQPJJXVOX-UHFFFAOYSA-N- Molecular formula
- C22H20N4O2
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.15862589
Names & identifiers
- Preferred name
- Ethyl 2-pyridin-2-yl-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate
- IUPAC
- ethyl 2-pyridin-2-yl-1-(2-pyridin-2-ylethyl)benzimidazole-5-carboxylate
Names & synonyms
NSC35679280477-88-9DTXSID40320254NSC-356792Ethyl 2-(pyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]-1H-1,3-benzimidazole-5-carboxylate
Database identifiers
- CAS
80477-88-9- PubChem CID
- 337754
- DTXSID
DTXSID40320254
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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