Basic information
- Standard SMILES
CC(C)N1CCC(NC(=O)c2nc3c(C(=O)N4CCOCC4)cccc3n2CC(=O)Nc2ccc(Cl)cn2)CC1- InChIKey
SHSFYELBNQGYAC-UHFFFAOYSA-N- Molecular formula
- C28H34ClN7O4
- Average molar mass
- 568.1 g/mol
Names & identifiers
- Preferred name
- 1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-4-(morpholine-4-carbonyl)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
- IUPAC
- 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-(morpholine-4-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide
Names & synonyms
SCHEMBL1378777SHSFYELBNQGYAC-UHFFFAOYSA-N1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-4-(morpholine-4-carbonyl)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
Database identifiers
- PubChem CID
- 67011676
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 896
Related reactions
2 records
Compound notes
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