Methyl 6-(4-(ethylsulfonyl)phenoxy)-2-pyridin-2-yl-1H-benzimidazole-5-carboxylate
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Basic information
- Standard SMILES
CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2C(=O)OC)cc1- InChIKey
NHZOJGZREPLRIV-UHFFFAOYSA-N- Molecular formula
- C22H19N3O5S
- Average molar mass
- 437.5 g/mol
Names & identifiers
- Preferred name
- Methyl 6-(4-(ethylsulfonyl)phenoxy)-2-pyridin-2-yl-1H-benzimidazole-5-carboxylate
- IUPAC
- methyl 6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazole-5-carboxylate
Names & synonyms
SCHEMBL1659324SCHEMBL1659496NHZOJGZREPLRIV-UHFFFAOYSA-Nmethyl 5-[4-(ethylsulfonyl)phenoxy]-2-(2-pyridinyl)-1H-benzimidazole-6-carboxylateMethyl 6-(4-(ethylsulfonyl)phenoxy)-2-pyridin-2-yl-1H-benzimidazole-5-carboxylate
Database identifiers
- PubChem CID
- 57433643
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 719
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Related reactions
1 records
Compound notes
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