Basic information
- Standard SMILES
Cc1cccc([C@H](C)c2nccn2Cc2ccc(-n3cncn3)cc2)c1C- InChIKey
IJWBPWUMNJTYOI-SFHVURJKSA-N- Molecular formula
- C22H23N5
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.19534575
Names & identifiers
- Preferred name
- 1-[4-({2-[(1S)-1-(2,3-dimethyl phenyl)ethyl]-1h-imidazol-1-yl}methyl)phenyl]-1h-1,2,4-triazole
- IUPAC
- 1-[4-[[2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl]phenyl]-1,2,4-triazole
Names & synonyms
SCHEMBL698617IJWBPWUMNJTYOI-SFHVURJKSA-N1-[4-({2-[(1S)-1-(2,3-dimethyl phenyl)ethyl]-1h-imidazol-1-yl}methyl)phenyl]-1h-1,2,4-triazole1-[4-({2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1h-imidazol-1-yl}methyl)phenyl]-1h-1,2,4-triazole
Database identifiers
- PubChem CID
- 57718425
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 464
Related reactions
2 records
Compound notes
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