1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-4-phenylpyridinium
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Basic information
- CAS
713071-73-9- Standard SMILES
Cc1cc2nc(C[n+]3ccc(-c4ccccc4)cc3)[nH]c2cc1C- InChIKey
LLMIYBFWWHCYGQ-UHFFFAOYSA-N- Molecular formula
- C21H20N3+
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.16572265
Names & identifiers
- Preferred name
- 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-4-phenylpyridinium
- IUPAC
- 5,6-dimethyl-2-[(4-phenylpyridin-1-ium-1-yl)methyl]-1H-benzimidazole
- English name
- 1-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-4-phenylpyridinium
- Molecular formula
- C21H20N3+
- Molecular weight
- 314.4036
Names & synonyms
AQ-405/423002461-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-4-phenylpyridinium
Database identifiers
- CAS
713071-73-9- PubChem CID
- 852043
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 398
Related reactions
0 records
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Compound notes
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