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3'-[4-(4-Methoxy-benzoyl)-imidazol-1-yl]-biphenyl-2-carbonitrile

HCID 67429384
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(=O)c2cn(-c3cccc(-c4ccccc4C#N)c3)cn2)cc1
InChIKey
HGGJXJIUCWIXOR-UHFFFAOYSA-N
Molecular formula
C24H17N3O2
Average molar mass
379.4 g/mol

Names & identifiers

Preferred name
3'-[4-(4-Methoxy-benzoyl)-imidazol-1-yl]-biphenyl-2-carbonitrile
IUPAC
2-[3-[4-(4-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile

Names & synonyms

SCHEMBL2497354HGGJXJIUCWIXOR-UHFFFAOYSA-N3'-[4-(4-Methoxy-benzoyl)-imidazol-1-yl]-biphenyl-2-carbonitrile

Database identifiers

PubChem CID
67429384

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
67.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Formal charge
0
Complexity
606

Related reactions

2 records
New reaction record
HRID 942085 reaction equation
HRID 942085As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1661252 reaction equation
HRID 1661252As productuspto-grants-2011_10

Compound notes

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