Basic information
- Standard SMILES
O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1- InChIKey
ZYMNWOUZKYNDFT-UHFFFAOYSA-N- Molecular formula
- C24H23N3O2S
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.15109816
Names & identifiers
- Preferred name
- 2-[1-(biphenyl-4-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
- IUPAC
- 2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
Names & synonyms
CHEMBL514934SCHEMBL1299053ZYMNWOUZKYNDFT-UHFFFAOYSA-NBDBM502491762-[1-(biphenyl-4-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole2-(1-(biphenyl-4-ylsulfonyl)piperidin-4-yl)-1H-benzo[d]imidazole
Database identifiers
- PubChem CID
- 44565638
- ChEMBL
CHEMBL514934
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 656
Related reactions
2 records
Compound notes
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