1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium

C17H14F5N2O+ — CID 90780176

IUPAC1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium
SMILESCc1c(C)[n+](C)c2c(OCc3c(F)c(F)c(F)c(F)c3F)cccn12
InChIInChI=1S/C17H14F5N2O/c1-8-9(2)24-6-4-5-11(17(24)23(8)3)25-7-10-12(18)14(20)16(22)15(21)13(10)19/h4-6H,7H2,1-3H3/q+1
InChIKeyLTGCSYKCGWHVGZ-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.66
Rot. Bonds3

About 1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium

1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium (PubChem CID 90780176) has the molecular formula C17H14F5N2O+ and a molecular weight of 357.30 g/mol. Its IUPAC name is 1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium.

Molecular Properties

Compound Name1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium
PubChem CID90780176
Molecular FormulaC17H14F5N2O+
Molecular Weight357.30 g/mol
Exact Mass357.10
IUPAC Name1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium
SMILESCc1c(C)[n+](C)c2c(OCc3c(F)c(F)c(F)c(F)c3F)cccn12
InChIInChI=1S/C17H14F5N2O/c1-8-9(2)24-6-4-5-11(17(24)23(8)3)25-7-10-12(18)14(20)16(22)15(21)13(10)19/h4-6H,7H2,1-3H3/q+1
InChIKeyLTGCSYKCGWHVGZ-UHFFFAOYSA-N
XLogP3.66
TPSA17.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-1-ium chloride
CID 18945060
8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl chloride
CID 86717886
8-[(2,6-difluorophenyl)methoxy]-2-methyl-3-thiophen-3-ylimidazo[1,2-a]pyridine
CID 121308779
(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-5,5,5-trifluoropentanoic acid
CID 90116507
1,2,3,4,5-pentafluoro-6-[[4-[4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenoxy]phenoxy]methyl]benzene
CID 141088240
8-[(2,6-difluorophenyl)methoxy]-3-(1,3-dimethylpyrazol-4-yl)-2-methylimidazo[1,2-a]pyridine
CID 121308817
4-methyl-3-[(2,3,4,5,6-pentafluorophenyl)methoxy]benzo[c]chromen-6-one
CID 2277386
1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 158469732
N-[(2R)-1-chlorohexan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 118389643
2,3-dimethyl-8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridine
CID 117061944
1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107701121
4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 103988426

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium?
The IUPAC name of 1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium (CID 90780176) is 1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium.
What is the SMILES notation for 1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium?
The canonical SMILES for 1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium is Cc1c(C)[n+](C)c2c(OCc3c(F)c(F)c(F)c(F)c3F)cccn12.
What is the InChIKey of 1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium?
The InChIKey is LTGCSYKCGWHVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N2O/c1-8-9(2)24-6-4-5-11(17(24)23(8)3)25-7-10-12(18)14(20)16(22)15(21)13(10)19/h4-6H,7H2,1-3H3/q+1.
What are the key properties of 1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium?
1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium has a molecular weight of 357.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-8-[(2,3,4,5,6-pentafluorophenyl)methoxy]imidazo[1,2-a]pyridin-1-ium is sourced from PubChem (CID 90780176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).