3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C32H28N4O3 — CID 177240802

About 3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177240802) has the molecular formula C32H28N4O3 and a molecular weight of 516.60 g/mol. Its IUPAC name is 3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 177240802
• Molecular Formula: C32H28N4O3
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.22
• IUPAC Name: 3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(-c4nc(-c5ccccc5)c(-c5ccccc5)n4C4CCC4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C32H28N4O3/c37-27-17-16-26(31(38)33-27)35-19-23-18-22(14-15-25(23)32(35)39)30-34-28(20-8-3-1-4-9-20)29(21-10-5-2-6-11-21)36(30)24-12-7-13-24/h1-6,8-11,14-15,18,24,26H,7,12-13,16-17,19H2,(H,33,37,38)
• InChIKey: QGBYKXUNHQFUMS-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177240802) is 3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(-c4nc(-c5ccccc5)c(-c5ccccc5)n4C4CCC4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is QGBYKXUNHQFUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O3/c37-27-17-16-26(31(38)33-27)35-19-23-18-22(14-15-25(23)32(35)39)30-34-28(20-8-3-1-4-9-20)29(21-10-5-2-6-11-21)36(30)24-12-7-13-24/h1-6,8-11,14-15,18,24,26H,7,12-13,16-17,19H2,(H,33,37,38).

What are the key properties of 3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 516.60 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(1-cyclobutyl-4,5-diphenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177240802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).