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3'-[4-(Pyridine-2-carbonyl)-imidazol-1-yl]-biphenyl-2-carbonitrile

HCID 67429485
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
N#Cc1ccccc1-c1cccc(-n2cnc(C(=O)c3ccccn3)c2)c1
InChIKey
RUKYNEATRREJEF-UHFFFAOYSA-N
Molecular formula
C22H14N4O
Average molar mass
350.4 g/mol

Names & identifiers

Preferred name
3'-[4-(Pyridine-2-carbonyl)-imidazol-1-yl]-biphenyl-2-carbonitrile
IUPAC
2-[3-[4-(pyridine-2-carbonyl)imidazol-1-yl]phenyl]benzonitrile

Names & synonyms

SCHEMBL2497621RUKYNEATRREJEF-UHFFFAOYSA-N3'-[4-(Pyridine-2-carbonyl)-imidazol-1-yl]-biphenyl-2-carbonitrile

Database identifiers

PubChem CID
67429485

Properties

Computed structural properties

XLogP
4
Topological polar surface area
71.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Formal charge
0
Complexity
570

Related reactions

2 records
New reaction record
HRID 837378 reaction equation
HRID 837378As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1661246 reaction equation
HRID 1661246As productuspto-grants-2011_10

Compound notes

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