1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione

C21H14N2O2 — CID 134956704

IUPAC1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione
SMILESO=C(C(=O)c1cnc2ccccn12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H14N2O2/c24-20(21(25)18-14-22-19-8-4-5-13-23(18)19)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-14H
InChIKeyQQYYWTYTHLJFNI-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.07
Rot. Bonds4

About 1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione

1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione (PubChem CID 134956704) has the molecular formula C21H14N2O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione
PubChem CID134956704
Molecular FormulaC21H14N2O2
Molecular Weight326.36 g/mol
Exact Mass326.11
IUPAC Name1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione
SMILESO=C(C(=O)c1cnc2ccccn12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H14N2O2/c24-20(21(25)18-14-22-19-8-4-5-13-23(18)19)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-14H
InChIKeyQQYYWTYTHLJFNI-UHFFFAOYSA-N
XLogP4.07
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.07
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

4-(imidazo[1,2-a]pyridine-3-carbonyl)benzoic acid
CID 67003128
1-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
CID 132969705
imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone
CID 46846990
(5-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone
CID 148877305
imidazo[1,2-a]pyridin-3-yl-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457705
1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 97226980
N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46882706
1-(4-phenylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 972377
2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
CID 67654872
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126473473
(4-bromo-2-pyridinyl)-imidazo[1,2-a]pyridin-3-ylmethanone
CID 147993971

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione?
The IUPAC name of 1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione (CID 134956704) is 1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione.
What is the SMILES notation for 1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione?
The canonical SMILES for 1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione is O=C(C(=O)c1cnc2ccccn12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione?
The InChIKey is QQYYWTYTHLJFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O2/c24-20(21(25)18-14-22-19-8-4-5-13-23(18)19)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-14H.
What are the key properties of 1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione?
1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione has a molecular weight of 326.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyridin-3-yl-2-(4-phenylphenyl)ethane-1,2-dione is sourced from PubChem (CID 134956704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).