2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile

C20H11F3N4 — CID 10292218

IUPAC2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(F)c(-c2cnc3nc(C(F)F)ccn23)c1
InChIInChI=1S/C20H11F3N4/c21-16-6-5-12(14-4-2-1-3-13(14)10-24)9-15(16)18-11-25-20-26-17(19(22)23)7-8-27(18)20/h1-9,11,19H
InChIKeyUWONJWSFTBYRNL-UHFFFAOYSA-N
MW364.33 g/mol
LogP5.01
Rot. Bonds3

About 2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile

2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile (PubChem CID 10292218) has the molecular formula C20H11F3N4 and a molecular weight of 364.33 g/mol. Its IUPAC name is 2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile
PubChem CID10292218
Molecular FormulaC20H11F3N4
Molecular Weight364.33 g/mol
Exact Mass364.09
IUPAC Name2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(F)c(-c2cnc3nc(C(F)F)ccn23)c1
InChIInChI=1S/C20H11F3N4/c21-16-6-5-12(14-4-2-1-3-13(14)10-24)9-15(16)18-11-25-20-26-17(19(22)23)7-8-27(18)20/h1-9,11,19H
InChIKeyUWONJWSFTBYRNL-UHFFFAOYSA-N
XLogP5.01
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.33
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-fluoro-5-[7-(furan-3-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10199763
2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 18001301
2-[2,6-difluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10294391
4-fluoro-2-[2-fluoro-5-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10271677
4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10271229
2-(2-aminoquinazolin-7-yl)benzonitrile
CID 166358266
3-[4-fluoro-3-(2-methylsulfonylphenyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10160106
3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10133066
2-(4-chlorophenyl)benzonitrile;hydrochloride
CID 175053913
2-[3-[4-fluoro-3-(1-oxidopyridin-1-ium-3-yl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol
CID 10270127
2-[2-fluoro-5-[7-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-yl]phenyl]benzonitrile
CID 10136133
7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine
CID 10269530

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile?
The IUPAC name of 2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile (CID 10292218) is 2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile.
What is the SMILES notation for 2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile?
The canonical SMILES for 2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile is N#Cc1ccccc1-c1ccc(F)c(-c2cnc3nc(C(F)F)ccn23)c1.
What is the InChIKey of 2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile?
The InChIKey is UWONJWSFTBYRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4/c21-16-6-5-12(14-4-2-1-3-13(14)10-24)9-15(16)18-11-25-20-26-17(19(22)23)7-8-27(18)20/h1-9,11,19H.
What are the key properties of 2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile?
2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile has a molecular weight of 364.33 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-4-fluorophenyl]benzonitrile is sourced from PubChem (CID 10292218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).