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

C19H18N2O2 — CID 132528111

IUPAC1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
SMILESCC(C)(C)c1nc2ccccn2c1C(=O)C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-19(2,3)18-15(21-12-8-7-11-14(21)20-18)17(23)16(22)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyGYNKFYXINPIFNV-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.70
Rot. Bonds3

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

1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione (PubChem CID 132528111) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
PubChem CID132528111
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
SMILESCC(C)(C)c1nc2ccccn2c1C(=O)C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-19(2,3)18-15(21-12-8-7-11-14(21)20-18)17(23)16(22)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyGYNKFYXINPIFNV-UHFFFAOYSA-N
XLogP3.70
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 84681820
1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
CID 156700622
2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82055184
(2-ethylsulfanylimidazo[1,2-a]pyridin-3-yl)-phenylmethanone
CID 169493027
1-(2-ethylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 76849304
3-acetylimidazo[1,2-a]pyridine-2-carbaldehyde
CID 11240902
3-benzylsulfanyl-2-tert-butylimidazo[1,2-a]pyridine
CID 154707081
2-tert-butylimidazo[1,2-a]pyrazine-3-carboxylic acid
CID 104573707
2-methyl-N-[(E)-1-phenylethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 6112087
2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61359128
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 79015469

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione?
The IUPAC name of 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione (CID 132528111) is 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione?
The canonical SMILES for 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione is CC(C)(C)c1nc2ccccn2c1C(=O)C(=O)c1ccccc1.
What is the InChIKey of 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione?
The InChIKey is GYNKFYXINPIFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-19(2,3)18-15(21-12-8-7-11-14(21)20-18)17(23)16(22)13-9-5-4-6-10-13/h4-12H,1-3H3.
What are the key properties of 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione?
1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione has a molecular weight of 306.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione is sourced from PubChem (CID 132528111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).