1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone

C16H17FN2O — CID 91521284

IUPAC1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCC(=O)C1C(c2ccc(F)cc2)=NC2C=CC(C)CN21
InChIInChI=1S/C16H17FN2O/c1-10-3-8-14-18-15(12-4-6-13(17)7-5-12)16(11(2)20)19(14)9-10/h3-8,10,14,16H,9H2,1-2H3
InChIKeyKNQOYKDPPJURIJ-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.42
Rot. Bonds2

About 1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone

1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone (PubChem CID 91521284) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone
PubChem CID91521284
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone
SMILESCC(=O)C1C(c2ccc(F)cc2)=NC2C=CC(C)CN21
InChIInChI=1S/C16H17FN2O/c1-10-3-8-14-18-15(12-4-6-13(17)7-5-12)16(11(2)20)19(14)9-10/h3-8,10,14,16H,9H2,1-2H3
InChIKeyKNQOYKDPPJURIJ-UHFFFAOYSA-N
XLogP2.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-benzoyl-4-(4-fluorophenyl)-1-hydroxy-2,5-dimethyl-2,5-dihydro-1H-imidazol-3-ium-3-olate
CID 5044042
4-(2-Fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one
CID 57311158
1-[(2E)-6-ethyl-2-[2-(2-fluorophenyl)prop-2-enylidene]-1-methylpyrimidin-4-yl]heptan-1-one
CID 166805414
[(2S,4S)-5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-4H-imidazol-1-ium-2-yl]-phenylmethanone
CID 7046483
[(2S,4R)-5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-4H-imidazol-1-ium-2-yl]-phenylmethanone
CID 7066371
[(2R,4R)-5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-4H-imidazol-1-ium-2-yl]-phenylmethanone
CID 7066374
[(2R,4S)-5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-4H-imidazol-1-ium-2-yl]-phenylmethanone
CID 7066375
1-[(2S,4R)-5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-4H-imidazol-1-ium-2-yl]ethanone
CID 8932818
1-[(2S,4S)-5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-4H-imidazol-1-ium-2-yl]ethanone
CID 8932819
1-[(2R,4R)-5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-4H-imidazol-1-ium-2-yl]ethanone
CID 8932820
1-[(2R,4S)-5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-4H-imidazol-1-ium-2-yl]ethanone
CID 8932821
1-[5-(4-fluorophenyl)-3-hydroxy-2,4-dimethyl-1-oxido-4H-imidazol-1-ium-2-yl]ethanone
CID 16280572

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone (CID 91521284) is 1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone is CC(=O)C1C(c2ccc(F)cc2)=NC2C=CC(C)CN21.
What is the InChIKey of 1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone?
The InChIKey is KNQOYKDPPJURIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10-3-8-14-18-15(12-4-6-13(17)7-5-12)16(11(2)20)19(14)9-10/h3-8,10,14,16H,9H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone?
1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone has a molecular weight of 272.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-6-methyl-3,5,6,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 91521284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).