3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one

C14H17N3O2 — CID 117061591

IUPAC3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one
SMILESCC(=O)N1C(=O)C(C)(C(C)C)N=C1c1ccccn1
InChIInChI=1S/C14H17N3O2/c1-9(2)14(4)13(19)17(10(3)18)12(16-14)11-7-5-6-8-15-11/h5-9H,1-4H3
InChIKeyVVQIMWCAZNMOLI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.63
Rot. Bonds2

About 3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one

3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one (PubChem CID 117061591) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one.

Molecular Properties

Compound Name3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one
PubChem CID117061591
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one
SMILESCC(=O)N1C(=O)C(C)(C(C)C)N=C1c1ccccn1
InChIInChI=1S/C14H17N3O2/c1-9(2)14(4)13(19)17(10(3)18)12(16-14)11-7-5-6-8-15-11/h5-9H,1-4H3
InChIKeyVVQIMWCAZNMOLI-UHFFFAOYSA-N
XLogP1.63
TPSA62.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

calcium;3-acetylpentane-2,4-dione;hydride;2-pyridin-2-ylpyridine
CID 173092020
2-phenylpyridine;propan-2-one
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2-methyl-1-[(1S,2R,6S,7R)-7,10,10-trimethyl-4-pyridin-2-yl-3,5-diazatricyclo[5.2.1.02,6]dec-4-en-3-yl]propan-1-one
CID 101465479
3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one
CID 71290993
bis(dimethylazanide);bis(2-pyridin-2-ylphenol);titanium(2+)
CID 135489220
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
6-hydroxy-1-phenyl-5-pyridin-2-ylpyridin-2-one
CID 170897684
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 13250671
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
1-phenyl-6-pyridin-2-ylpyridin-2-one
CID 175196547
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CID 177256284

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one?
The IUPAC name of 3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one (CID 117061591) is 3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one.
What is the SMILES notation for 3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one?
The canonical SMILES for 3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one is CC(=O)N1C(=O)C(C)(C(C)C)N=C1c1ccccn1.
What is the InChIKey of 3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one?
The InChIKey is VVQIMWCAZNMOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)14(4)13(19)17(10(3)18)12(16-14)11-7-5-6-8-15-11/h5-9H,1-4H3.
What are the key properties of 3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one?
3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one has a molecular weight of 259.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-methyl-5-propan-2-yl-2-pyridin-2-ylimidazol-4-one is sourced from PubChem (CID 117061591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).