1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one

C25H24N2O — CID 69437883

IUPAC1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one
SMILESCc1cccc(C)c1-c1nc2ccccn2c1CC(=O)CCc1ccccc1
InChIInChI=1S/C25H24N2O/c1-18-9-8-10-19(2)24(18)25-22(27-16-7-6-13-23(27)26-25)17-21(28)15-14-20-11-4-3-5-12-20/h3-13,16H,14-15,17H2,1-2H3
InChIKeyGDGIXRIXYITGFG-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.36
Rot. Bonds6

About 1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one

1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one (PubChem CID 69437883) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one
PubChem CID69437883
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one
SMILESCc1cccc(C)c1-c1nc2ccccn2c1CC(=O)CCc1ccccc1
InChIInChI=1S/C25H24N2O/c1-18-9-8-10-19(2)24(18)25-22(27-16-7-6-13-23(27)26-25)17-21(28)15-14-20-11-4-3-5-12-20/h3-13,16H,14-15,17H2,1-2H3
InChIKeyGDGIXRIXYITGFG-UHFFFAOYSA-N
XLogP5.36
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenyl]propanamide
CID 58387815
1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 84565909
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-phenylbutan-2-yl)propanamide
CID 53118637
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 95056650
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-phenylbutan-2-yl)propanamide
CID 53036628
2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82055184
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methylphenyl)propanamide
CID 53036610
(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971
4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 70025253
2-amino-1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84661951
2-(2,4,6-trimethylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617577

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one?
The IUPAC name of 1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one (CID 69437883) is 1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one.
What is the SMILES notation for 1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one?
The canonical SMILES for 1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one is Cc1cccc(C)c1-c1nc2ccccn2c1CC(=O)CCc1ccccc1.
What is the InChIKey of 1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one?
The InChIKey is GDGIXRIXYITGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-18-9-8-10-19(2)24(18)25-22(27-16-7-6-13-23(27)26-25)17-21(28)15-14-20-11-4-3-5-12-20/h3-13,16H,14-15,17H2,1-2H3.
What are the key properties of 1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one?
1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one has a molecular weight of 368.48 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-4-phenylbutan-2-one is sourced from PubChem (CID 69437883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).