1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one

C20H22N2O — CID 158015272

IUPAC1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one
SMILESCC(C)(C)c1ccc(CC(=O)Cc2cccc3nccn23)cc1
InChIInChI=1S/C20H22N2O/c1-20(2,3)16-9-7-15(8-10-16)13-18(23)14-17-5-4-6-19-21-11-12-22(17)19/h4-12H,13-14H2,1-3H3
InChIKeyFFJPWXYSWINCFP-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.99
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one

1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one (PubChem CID 158015272) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one
PubChem CID158015272
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one
SMILESCC(C)(C)c1ccc(CC(=O)Cc2cccc3nccn23)cc1
InChIInChI=1S/C20H22N2O/c1-20(2,3)16-9-7-15(8-10-16)13-18(23)14-17-5-4-6-19-21-11-12-22(17)19/h4-12H,13-14H2,1-3H3
InChIKeyFFJPWXYSWINCFP-UHFFFAOYSA-N
XLogP3.99
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one?
The IUPAC name of 1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one (CID 158015272) is 1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one is CC(C)(C)c1ccc(CC(=O)Cc2cccc3nccn23)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one?
The InChIKey is FFJPWXYSWINCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-20(2,3)16-9-7-15(8-10-16)13-18(23)14-17-5-4-6-19-21-11-12-22(17)19/h4-12H,13-14H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one?
1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one has a molecular weight of 306.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one is sourced from PubChem (CID 158015272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).