4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile

C20H10F4N4 — CID 10271229

IUPAC4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3cnc4nc(C(F)(F)F)ccn34)ccc2F)cc1
InChIInChI=1S/C20H10F4N4/c21-16-6-5-14(9-15(16)13-3-1-12(10-25)2-4-13)17-11-26-19-27-18(20(22,23)24)7-8-28(17)19/h1-9,11H
InChIKeyXADIBLCMJSVYED-UHFFFAOYSA-N
MW382.32 g/mol
LogP5.09
Rot. Bonds2

About 4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile

4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile (PubChem CID 10271229) has the molecular formula C20H10F4N4 and a molecular weight of 382.32 g/mol. Its IUPAC name is 4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
PubChem CID10271229
Molecular FormulaC20H10F4N4
Molecular Weight382.32 g/mol
Exact Mass382.08
IUPAC Name4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3cnc4nc(C(F)(F)F)ccn34)ccc2F)cc1
InChIInChI=1S/C20H10F4N4/c21-16-6-5-14(9-15(16)13-3-1-12(10-25)2-4-13)17-11-26-19-27-18(20(22,23)24)7-8-28(17)19/h1-9,11H
InChIKeyXADIBLCMJSVYED-UHFFFAOYSA-N
XLogP5.09
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.32
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tegobuvir
CID 23649154
PF-670462
CID 51049607
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489
2-Phenylimidazo[1,2-a]pyrimidine
CID 204149
1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}methyl)-4-(naphthalen-1-yl)-1H-pyrrole-3-carbonitrile
CID 23646776
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339
Imidazopyridine 10b
CID 5329341
2,4-Disubstituted Pyrimidine 2l
CID 5329425

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The IUPAC name of 4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile (CID 10271229) is 4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile is N#Cc1ccc(-c2cc(-c3cnc4nc(C(F)(F)F)ccn34)ccc2F)cc1.
What is the InChIKey of 4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The InChIKey is XADIBLCMJSVYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F4N4/c21-16-6-5-14(9-15(16)13-3-1-12(10-25)2-4-13)17-11-26-19-27-18(20(22,23)24)7-8-28(17)19/h1-9,11H.
What are the key properties of 4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile has a molecular weight of 382.32 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile is sourced from PubChem (CID 10271229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).