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

C18H9F3N6 — CID 10109460

IUPAC2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)n1
InChIInChI=1S/C18H9F3N6/c19-18(20,21)15-6-8-27-14(10-24-17(27)26-15)13-5-7-23-16(25-13)12-4-2-1-3-11(12)9-22/h1-8,10H
InChIKeyIYYLIZWRYYVEPH-UHFFFAOYSA-N
MW366.31 g/mol
LogP3.74
Rot. Bonds2

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

2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile (PubChem CID 10109460) has the molecular formula C18H9F3N6 and a molecular weight of 366.31 g/mol. Its IUPAC name is 2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile
PubChem CID10109460
Molecular FormulaC18H9F3N6
Molecular Weight366.31 g/mol
Exact Mass366.08
IUPAC Name2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)n1
InChIInChI=1S/C18H9F3N6/c19-18(20,21)15-6-8-27-14(10-24-17(27)26-15)13-5-7-23-16(25-13)12-4-2-1-3-11(12)9-22/h1-8,10H
InChIKeyIYYLIZWRYYVEPH-UHFFFAOYSA-N
XLogP3.74
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Tegobuvir
CID 23649154
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10249182
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
3-Phenylimidazo(1,5-a)pyridine
CID 606670
T-808
CID 53339381
2-Phenylimidazo(1,2-a)pyridine
CID 201136
2-Phenylimidazo[1,2-a]pyrimidine
CID 204149
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile?
The IUPAC name of 2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile (CID 10109460) is 2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile.
What is the SMILES notation for 2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile?
The canonical SMILES for 2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile is N#Cc1ccccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)n1.
What is the InChIKey of 2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile?
The InChIKey is IYYLIZWRYYVEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F3N6/c19-18(20,21)15-6-8-27-14(10-24-17(27)26-15)13-5-7-23-16(25-13)12-4-2-1-3-11(12)9-22/h1-8,10H.
What are the key properties of 2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile?
2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile has a molecular weight of 366.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile is sourced from PubChem (CID 10109460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).