Basic information
- Standard SMILES
COc1ccc(Cn2cncc2Cc2ccc(-n3cc(Cl)ccc3=O)nc2)cc1C#N- InChIKey
KMMAWFGSPFJSJZ-UHFFFAOYSA-N- Molecular formula
- C23H18ClN5O2
- Average molar mass
- 431.9 g/mol
Names & identifiers
- Preferred name
- 5-[5-(5-chloro-2-oxo-2H-[1,2']bipyridinyl-5'-ylmethyl)-imidazol-1-ylmethyl]-2-methoxy-benzonitrile
- IUPAC
- 5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]-2-methoxybenzonitrile
Names & synonyms
SCHEMBL8149146KMMAWFGSPFJSJZ-UHFFFAOYSA-N5-[5-(5-chloro-2-oxo-2H-[1,2']bipyridinyl-5'-ylmethyl)-imidazol-1-ylmethyl]-2-methoxy-benzonitrile
Database identifiers
- PubChem CID
- 18779796
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 762
Related reactions
2 records
Compound notes
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