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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).