2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one

C15H11F3N2O — CID 117132815

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(Cc3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)11-6-4-10(5-7-11)8-12-9-20-13(19-12)2-1-3-14(20)21/h1-7,9,19H,8H2
InChIKeyGXWRRGFJIRMUOR-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.24
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one

2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 117132815) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID117132815
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=c1cccc2[nH]c(Cc3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)11-6-4-10(5-7-11)8-12-9-20-13(19-12)2-1-3-14(20)21/h1-7,9,19H,8H2
InChIKeyGXWRRGFJIRMUOR-UHFFFAOYSA-N
XLogP3.24
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(trifluoromethyl)phenyl]-1H-imidazo[1,2-a]pyridin-5-one
CID 117133162
2-(thian-4-ylmethyl)-1H-imidazo[1,2-a]pyridin-5-one
CID 117131527
3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
CID 117141921
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 134862529
1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 18412167
3-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138638
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
2-(3-aminophenyl)-1H-imidazo[1,2-a]pyridin-5-one
CID 117128159
bis[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 102517690
1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one
CID 151308963

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one (CID 117132815) is 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one is O=c1cccc2[nH]c(Cc3ccc(C(F)(F)F)cc3)cn12.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is GXWRRGFJIRMUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-15(17,18)11-6-4-10(5-7-11)8-12-9-20-13(19-12)2-1-3-14(20)21/h1-7,9,19H,8H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one?
2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 292.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 117132815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).