1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione

C20H20N2O2 — CID 156700622

IUPAC1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
SMILESCc1cccn2c(C(=O)C(=O)c3ccccc3)c(C(C)(C)C)nc12
InChIInChI=1S/C20H20N2O2/c1-13-9-8-12-22-15(18(20(2,3)4)21-19(13)22)17(24)16(23)14-10-6-5-7-11-14/h5-12H,1-4H3
InChIKeyYTFGFLJHROQZDB-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.01
Rot. Bonds3

About 1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione

1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione (PubChem CID 156700622) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
PubChem CID156700622
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
SMILESCc1cccn2c(C(=O)C(=O)c3ccccc3)c(C(C)(C)C)nc12
InChIInChI=1S/C20H20N2O2/c1-13-9-8-12-22-15(18(20(2,3)4)21-19(13)22)17(24)16(23)14-10-6-5-7-11-14/h5-12H,1-4H3
InChIKeyYTFGFLJHROQZDB-UHFFFAOYSA-N
XLogP4.01
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.01
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'}

Analyze 1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione with MolForge

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Related Compounds

2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 79015469
1-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
CID 132528111
2,8-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 2736259
1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2,2-dimethylpropan-1-amine
CID 82029353
2,2,2-trifluoroethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 137355339
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)methyl]piperidin-1-ium-4-carboxylate
CID 39146550
3-amino-2-tert-butylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 82355911
8-methyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylic acid
CID 112547843
2-[(2,6-dimethylphenoxy)methyl]-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 94968837
3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid
CID 39186541
3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82035109

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione?
The IUPAC name of 1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione (CID 156700622) is 1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione?
The canonical SMILES for 1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione is Cc1cccn2c(C(=O)C(=O)c3ccccc3)c(C(C)(C)C)nc12.
What is the InChIKey of 1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione?
The InChIKey is YTFGFLJHROQZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-9-8-12-22-15(18(20(2,3)4)21-19(13)22)17(24)16(23)14-10-6-5-7-11-14/h5-12H,1-4H3.
What are the key properties of 1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione?
1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione has a molecular weight of 320.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione is sourced from PubChem (CID 156700622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).