Basic information
- Standard SMILES
O=C(O)CCCC#CCc1c(-c2ccccc2)nc(-c2ccccc2)n1-c1ccccc1- InChIKey
BLXOVMXLNDVKBM-UHFFFAOYSA-N- Molecular formula
- C28H24N2O2
- Average molar mass
- 420.5 g/mol
Names & identifiers
- Preferred name
- 7-(1,2,4-Triphenyl-imidazolyl)-hept-5-ynoic acid
- IUPAC
- 7-(2,3,5-triphenylimidazol-4-yl)hept-5-ynoic acid
Names & synonyms
SCHEMBL8112419BLXOVMXLNDVKBM-UHFFFAOYSA-N7-(1,2,4-triphenyl-imidazolyl)-hept-5-ynoic acid
Database identifiers
- PubChem CID
- 53688979
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 647
Related reactions
2 records
Compound notes
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