Methyl 2-butyl-1-[(2'-cyanobiphenyl-4-yl)methyl]benzimidazole-4-carboxylate

HCID 19792178
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Basic information

Standard SMILES
CCCCc1nc2c(C(=O)OC)cccc2n1Cc1ccc(-c2ccccc2C#N)cc1
InChIKey
JIYTUPXCMCKNNT-UHFFFAOYSA-N
Molecular formula
C27H25N3O2
Average molar mass
423.5 g/mol
Monoisotopic mass
423.19467705

Names & identifiers

Preferred name
Methyl 2-butyl-1-[(2'-cyanobiphenyl-4-yl)methyl]benzimidazole-4-carboxylate
IUPAC
methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate

Names & synonyms

SCHEMBL9191552JIYTUPXCMCKNNT-UHFFFAOYSA-NMethyl 2-butyl-1-[(2'-cyanobiphenyl-4-yl)methyl]benzimidazole-4-carboxylate

Database identifiers

PubChem CID
19792178

Properties

Computed structural properties

XLogP
6
Topological polar surface area
67.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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