3-[(2-Pyridin-3-ylbenzimidazol-1-yl)methyl]benzonitrile
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Basic information
- CAS
1176031-93-8- Standard SMILES
N#Cc1cccc(Cn2c(-c3cccnc3)nc3ccccc32)c1- InChIKey
MWJKVCZRTWMIIG-UHFFFAOYSA-N- Molecular formula
- C20H14N4
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.12184646
Names & identifiers
- Preferred name
- 3-[(2-Pyridin-3-ylbenzimidazol-1-yl)methyl]benzonitrile
- IUPAC
- 3-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]benzonitrile
- English name
- 3-((2-(Pyridin-3-yl)-1H-benzo[d]iMidazol-1-yl)Methyl)benzonitrile
- Molecular formula
- C20H14N4
- Molecular weight
- 310.35
Names & synonyms
Benzonitrile, 3-[[2-(3-pyridinyl)-1H-benzimidazol-1-yl]methyl]-3-((2-(Pyridin-3-yl)-1H-benzo[d]iMidazol-1-yl)Methyl)benzonitrile
Database identifiers
- CAS
1176031-93-8- PubChem CID
- 39151449
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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