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2-(Biphenyl-4-ylmethoxy)-4-imidazol-1-ylmethyl-benzonitrile

HCID 9951007
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
N#Cc1ccc(Cn2ccnc2)cc1OCc1ccc(-c2ccccc2)cc1
InChIKey
GAWFCHQYWIMTJI-UHFFFAOYSA-N
Molecular formula
C24H19N3O
Average molar mass
365.4 g/mol

Names & identifiers

Preferred name
2-(Biphenyl-4-ylmethoxy)-4-imidazol-1-ylmethyl-benzonitrile
IUPAC
4-(imidazol-1-ylmethyl)-2-[(4-phenylphenyl)methoxy]benzonitrile

Names & synonyms

SCHEMBL3502539GAWFCHQYWIMTJI-UHFFFAOYSA-N2-(Biphenyl-4-ylmethoxy)-4-imidazol-1-ylmethyl-benzonitrile

Database identifiers

PubChem CID
9951007

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
50.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
28
Formal charge
0
Complexity
515

Related reactions

2 records
New reaction record
HRID 95219 reaction equation
HRID 95219As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 379026 reaction equation
HRID 379026As productuspto-grants-2001_10

Compound notes

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