Basic information
- Standard SMILES
CN(C)c1ccc(Nc2nc3cc(OC4(C(=O)O)C=CC=CN4)ccc3n2C)cc1- InChIKey
WTYPHQCAMJUFLR-UHFFFAOYSA-N- Molecular formula
- C22H23N5O3
- Average molar mass
- 405.4 g/mol
Names & identifiers
- Preferred name
- 2-{[4-(Dimethylamino)phenylamino)-1-methylbenzimidazol-5-yloxy)-pyridine-2-carboxylic acid
- IUPAC
- 2-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-1H-pyridine-2-carboxylic acid
Names & synonyms
WTYPHQCAMJUFLR-UHFFFAOYSA-N2-{[4-(dimethylamino)phenylamino)-1-methylbenzimidazol-5-yloxy)-pyridine-2-carboxylic acid2-{[4-(dimethylamino)phenylamino)-1-methylbenzimidazol-5-yloxy)pyridin-2-carboxylic acid2-{[4-(dimethylamino)phenylamino)-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylic acid2-{[4-(dimethylamino)pheylamino)-1-methylbenzimidazol-5-yloxy)-pyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 86617166
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 676
Related reactions
5 records
Compound notes
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