Methyl 2-butyl-1-[[2'-(2,5-dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazol-7-carboxylate

HCID 10649000

Basic information

Standard SMILES
CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nc(=S)o[nH]2)cc1
InChIKey
HRRMKHNTCGBOJB-UHFFFAOYSA-N
Molecular formula
C28H26N4O3S
Average molar mass
498.6 g/mol

Names & identifiers

Preferred name
Methyl 2-butyl-1-[[2'-(2,5-dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazol-7-carboxylate
IUPAC
methyl 2-butyl-3-[[4-[2-(5-sulfanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

Names & synonyms

CHEMBL150049SCHEMBL7015611HRRMKHNTCGBOJB-UHFFFAOYSA-NMethyl 2-butyl-1-[[2'-(2,5-dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazol-7-carboxylateMethyl 2-butyl-1-[[2'-(2.5-dihydro-5-thioxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazol-7-carboxylate

Database identifiers

PubChem CID
10649000
ChEMBL
CHEMBL150049

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
36

Related reactions

5 records

Linked notes

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