Basic information
- Standard SMILES
CC(C)N1CCC(NC(=O)c2nc3ccc(S(=O)(=O)CCO)cc3n2CC(=O)Nc2ccc(Cl)cn2)CC1- InChIKey
ALNMAWGOKNHARU-UHFFFAOYSA-N- Molecular formula
- C25H31ClN6O5S
- Average molar mass
- 563.1 g/mol
Names & identifiers
- Preferred name
- 1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-6-(2-hydroxy-ethanesulfonyl)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
- IUPAC
- 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-6-(2-hydroxyethylsulfonyl)-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide
Names & synonyms
SCHEMBL1383667ALNMAWGOKNHARU-UHFFFAOYSA-N1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-6-(2-hydroxy-ethanesulfonyl)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
Database identifiers
- PubChem CID
- 67013322
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 926
Related reactions
1 records
Compound notes
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