1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone

C13H16N2O — CID 84681820

IUPAC1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCC(=O)c1c(C(C)(C)C)nc2ccccn12
InChIInChI=1S/C13H16N2O/c1-9(16)11-12(13(2,3)4)14-10-7-5-6-8-15(10)11/h5-8H,1-4H3
InChIKeyVSENJIZOHVEHBB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.83
Rot. Bonds1

About 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone

1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 84681820) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID84681820
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCC(=O)c1c(C(C)(C)C)nc2ccccn12
InChIInChI=1S/C13H16N2O/c1-9(16)11-12(13(2,3)4)14-10-7-5-6-8-15(10)11/h5-8H,1-4H3
InChIKeyVSENJIZOHVEHBB-UHFFFAOYSA-N
XLogP2.83
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
CID 132528111
2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82055184
1-(2-ethylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 76849304
3-acetylimidazo[1,2-a]pyridine-2-carbaldehyde
CID 11240902
1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84654901
3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine
CID 154707081
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
2-(methylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 84777303
2-tert-butylimidazo[1,2-a]pyrazine-3-carboxylic acid
CID 104573707
2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61359128
2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 79015469
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone (CID 84681820) is 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone is CC(=O)c1c(C(C)(C)C)nc2ccccn12.
What is the InChIKey of 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is VSENJIZOHVEHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(16)11-12(13(2,3)4)14-10-7-5-6-8-15(10)11/h5-8H,1-4H3.
What are the key properties of 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone?
1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 216.28 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 84681820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).