2-[2-Hydroxy-5-(2-methoxy-pyridin-3-yl)-phenyl]-3H-benzoimidazole-5-carboxylic acid [2-methoxy-4-(4-methyl-piperazin-1-yl)-phenyl]-amide
Basic information
- Standard SMILES
COc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2nc(-c3cc(-c4cccnc4OC)ccc3O)[nH]c2c1- InChIKey
ZJJABRFSRCDULW-UHFFFAOYSA-N- Molecular formula
- C32H32N6O4
- Average molar mass
- 564.6 g/mol
- Monoisotopic mass
- 564.24850352
Names & identifiers
- Preferred name
- 2-[2-Hydroxy-5-(2-methoxy-pyridin-3-yl)-phenyl]-3H-benzoimidazole-5-carboxylic acid [2-methoxy-4-(4-methyl-piperazin-1-yl)-phenyl]-amide
- IUPAC
- 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-3H-benzimidazole-5-carboxamide
Names & synonyms
SCHEMBL1509588SCHEMBL14090432ZJJABRFSRCDULW-UHFFFAOYSA-N2-[2-Hydroxy-5-(2-methoxy-pyridin-3-yl)-phenyl]-3H-benzoimidazole-5-carboxylic acid [2-methoxy-4-(4-methyl-piperazin-1-yl)-phenyl]-amide
Database identifiers
- PubChem CID
- 136106293
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 889
Related reactions
2 records
Compound notes
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