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4-Fluoro-3'-(7-trifluoromethylimidazo[1,2-a]pyrimidin-3-yl)biphenyl-2-carbonitrile

HCID 10293239
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1cc(F)ccc1-c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1
InChIKey
ILOGIPYSSXXLEG-UHFFFAOYSA-N
Molecular formula
C20H10F4N4
Average molar mass
382.3 g/mol
Monoisotopic mass
382.08415898

Names & identifiers

Preferred name
4-Fluoro-3'-(7-trifluoromethylimidazo[1,2-a]pyrimidin-3-yl)biphenyl-2-carbonitrile
IUPAC
5-fluoro-2-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile

Names & synonyms

4-fluoro-3'-(7-trifluoromethylimidazo[1,2-a]pyrimidin-3-yl)biphenyl-2-carbonitrileSCHEMBL72234994-fluoro-3'-(7-trifluoromethylimidazo[1,2-alpha]pyrimidin-3-yl)biphenyl-2-carbonitrile

Database identifiers

PubChem CID
10293239

Properties

Computed structural propertiesFilling in

XLogP
5.1
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
28
Formal charge
0
Complexity
603

Related reactions

2 records
New reaction record
HRID 478255 reaction equation
HRID 478255As productuspto-grants-2003_11
HRID 1544840 reaction equation
HRID 1544840As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes