Basic information
- Standard SMILES
O=C1c2ccccc2C(=O)N1C/C=C/Cn1cnc2cccnc21- InChIKey
DCUHRRPWVMSSCK-ONEGZZNKSA-N- Molecular formula
- C18H14N4O2
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.1116757
Names & identifiers
- Preferred name
- 3-[(E)-4-phthalimido-2-butenyl]-3H-imidazo[4,5-b]pyridine
- IUPAC
- 2-[(E)-4-imidazo[4,5-b]pyridin-3-ylbut-2-enyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL7103901DCUHRRPWVMSSCK-ONEGZZNKSA-N3-[(E)-4-phthalimido-2-butenyl]-3H-imidazo[4,5-b]pyridine
Database identifiers
- PubChem CID
- 18506027
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 511
Related reactions
2 records
Compound notes
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