{5-[(2-Cyano-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid

HCID 67200031
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Basic information

Standard SMILES
CCCc1nc2cc(N(Cc3ccccc3C#N)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)O
InChIKey
ZHGAEIJQVBQKKO-UHFFFAOYSA-N
Molecular formula
C26H23FN4O4S
Average molar mass
506.5 g/mol

Names & identifiers

Preferred name
{5-[(2-Cyano-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid
IUPAC
2-[5-[(2-cyanophenyl)methyl-(4-fluorophenyl)sulfonylamino]-2-propylbenzimidazol-1-yl]acetic acid

Names & synonyms

SCHEMBL1884991ZHGAEIJQVBQKKO-UHFFFAOYSA-N{5-[(2-Cyano-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid

Database identifiers

PubChem CID
67200031

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
125 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
36

Related reactions

2 records
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Compound notes

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