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

C20H9F5N4 — CID 10222605

IUPAC3-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(F)c1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F
InChIInChI=1S/C20H9F5N4/c21-14-5-4-11(8-13(14)18-12(9-26)2-1-3-15(18)22)16-10-27-19-28-17(20(23,24)25)6-7-29(16)19/h1-8,10H
InChIKeyAJWPZYMLAILYCO-UHFFFAOYSA-N
MW400.31 g/mol
LogP5.23
Rot. Bonds2

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

3-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile (PubChem CID 10222605) has the molecular formula C20H9F5N4 and a molecular weight of 400.31 g/mol. Its IUPAC name is 3-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
PubChem CID10222605
Molecular FormulaC20H9F5N4
Molecular Weight400.31 g/mol
Exact Mass400.07
IUPAC Name3-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(F)c1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F
InChIInChI=1S/C20H9F5N4/c21-14-5-4-11(8-13(14)18-12(9-26)2-1-3-15(18)22)16-10-27-19-28-17(20(23,24)25)6-7-29(16)19/h1-8,10H
InChIKeyAJWPZYMLAILYCO-UHFFFAOYSA-N
XLogP5.23
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.31
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tegobuvir
CID 23649154
Azd-3839
CID 46202416
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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The IUPAC name of 3-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile (CID 10222605) is 3-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile.
What is the SMILES notation for 3-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The canonical SMILES for 3-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile is N#Cc1cccc(F)c1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F.
What is the InChIKey of 3-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
The InChIKey is AJWPZYMLAILYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9F5N4/c21-14-5-4-11(8-13(14)18-12(9-26)2-1-3-15(18)22)16-10-27-19-28-17(20(23,24)25)6-7-29(16)19/h1-8,10H.
What are the key properties of 3-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile?
3-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile has a molecular weight of 400.31 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile is sourced from PubChem (CID 10222605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).