6-Benzenesulfonylcarbamoyl-1-(biphenyl-4-ylmethyl)-2-carboxybenzimidazole

HCID 54373360
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Basic information

Standard SMILES
O=C(NS(=O)(=O)c1ccccc1)c1ccc2nc(C(=O)O)n(Cc3ccc(-c4ccccc4)cc3)c2c1
InChIKey
UUUBCPTWZFLSES-UHFFFAOYSA-N
Molecular formula
C28H21N3O5S
Average molar mass
511.5 g/mol
Monoisotopic mass
511.12019195

Names & identifiers

Preferred name
6-Benzenesulfonylcarbamoyl-1-(biphenyl-4-ylmethyl)-2-carboxybenzimidazole
IUPAC
6-(benzenesulfonylcarbamoyl)-1-[(4-phenylphenyl)methyl]benzimidazole-2-carboxylic acid

Names & synonyms

SCHEMBL1160120UUUBCPTWZFLSES-UHFFFAOYSA-N6-benzenesulfonylcarbamoyl-1-(biphenyl-4-ylmethyl)-2-carboxybenzimidazole

Database identifiers

PubChem CID
54373360

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
127 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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