2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione

C20H12N4O2 — CID 168519884

IUPAC2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C20H12N4O2/c25-18-15-7-1-2-8-16(15)19(26)24(18)14-6-3-5-13(11-14)17-12-23-10-4-9-21-20(23)22-17/h1-12H
InChIKeyAVVGIKGKQZAGOL-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.20
Rot. Bonds2

About 2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione

2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione (PubChem CID 168519884) has the molecular formula C20H12N4O2 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione
PubChem CID168519884
Molecular FormulaC20H12N4O2
Molecular Weight340.34 g/mol
Exact Mass340.10
IUPAC Name2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C20H12N4O2/c25-18-15-7-1-2-8-16(15)19(26)24(18)14-6-3-5-13(11-14)17-12-23-10-4-9-21-20(23)22-17/h1-12H
InChIKeyAVVGIKGKQZAGOL-UHFFFAOYSA-N
XLogP3.20
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]isoindole-1,3-dione
CID 168518429
2-pyridin-3-ylimidazo[1,2-a]pyrimidine
CID 10035574
4-amino-5-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331428
2-[3-(2-methylpyrimidin-4-yl)phenyl]isoindole-1,3-dione
CID 168516996
2-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 67237383
2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285241
2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518992
2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyrimidine
CID 938226
2-pyridin-2-ylimidazo[1,2-a]pyrimidine
CID 70500058
(3S)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122285105
2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione
CID 168517614
2-(3,5-difluorophenyl)imidazo[1,2-a]pyrimidine
CID 113303129

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione (CID 168519884) is 2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc(-c2cn3cccnc3n2)c1.
What is the InChIKey of 2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione?
The InChIKey is AVVGIKGKQZAGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O2/c25-18-15-7-1-2-8-16(15)19(26)24(18)14-6-3-5-13(11-14)17-12-23-10-4-9-21-20(23)22-17/h1-12H.
What are the key properties of 2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione?
2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione has a molecular weight of 340.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 168519884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).