Basic information
- Standard SMILES
C1=C(/C=C/c2ccccc2)CCN(Cc2nc3ccccc3[nH]2)C1- InChIKey
LWQGENVDSDSDMF-ZHACJKMWSA-N- Molecular formula
- C21H21N3
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.17354768
Names & identifiers
- Preferred name
- (E)-2-(4-[2-Phenylethenyl]-1,2,3,6-tetrahydropyridin-1-ylmethyl)benzimidazole
- IUPAC
- 2-[[4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-benzimidazole
Names & synonyms
SCHEMBL1388210LWQGENVDSDSDMF-ZHACJKMWSA-N(E)-2-(4-[2-Phenylethenyl]-1,2,3,6-tetrahydropyridin-1-ylmethyl)benzimidazole
Database identifiers
- PubChem CID
- 9818342
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 31.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 464
Related reactions
1 records
Compound notes
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