Basic information
- CAS
80144-56-5- Standard SMILES
c1ccc(CCn2c(-c3ccncc3)nc3ccccc32)nc1- InChIKey
DGULOSPKXUYSGM-UHFFFAOYSA-N- Molecular formula
- C19H16N4
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.13749653
Names & identifiers
- Preferred name
- 2-(Pyridin-4-yl)-1-[2-(pyridin-2-yl)ethyl]-1H-benzimidazole
- IUPAC
- 2-pyridin-4-yl-1-(2-pyridin-2-ylethyl)benzimidazole
Names & synonyms
80144-56-5NSC356796DTXSID803202582-(Pyridin-4-yl)-1-[2-(pyridin-2-yl)ethyl]-1H-benzimidazoleNSC-3567962-(Pyridin-4-yl)-1-[2-(pyridin-2-yl)ethyl]-1H-1,3-benzimidazole
Database identifiers
- CAS
80144-56-5- PubChem CID
- 337758
- DTXSID
DTXSID80320258
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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