3-[5-fluoro-6-(2-methyl-1-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C23H19FN4O3 — CID 177240880

About 3-[5-fluoro-6-(2-methyl-1-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-fluoro-6-(2-methyl-1-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177240880) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 3-[5-fluoro-6-(2-methyl-1-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[5-fluoro-6-(2-methyl-1-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 177240880
• Molecular Formula: C23H19FN4O3
• Molecular Weight: 418.43 g/mol
• Exact Mass: 418.14
• IUPAC Name: 3-[5-fluoro-6-(2-methyl-1-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: Cc1nc(-c2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3)cn1-c1ccccc1
• InChI: InChI=1S/C23H19FN4O3/c1-13-25-19(12-27(13)15-5-3-2-4-6-15)17-9-14-11-28(23(31)16(14)10-18(17)24)20-7-8-21(29)26-22(20)30/h2-6,9-10,12,20H,7-8,11H2,1H3,(H,26,29,30)
• InChIKey: RDZNWRREJKISJA-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.43
LogP ≤ 5	2.75
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-[5-fluoro-6-(2-methyl-1-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[5-fluoro-6-(2-methyl-1-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177240880) is 3-[5-fluoro-6-(2-methyl-1-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

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

The canonical SMILES for 3-[5-fluoro-6-(2-methyl-1-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cc1nc(-c2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3)cn1-c1ccccc1.

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

The InChIKey is RDZNWRREJKISJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-13-25-19(12-27(13)15-5-3-2-4-6-15)17-9-14-11-28(23(31)16(14)10-18(17)24)20-7-8-21(29)26-22(20)30/h2-6,9-10,12,20H,7-8,11H2,1H3,(H,26,29,30).

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

3-[5-fluoro-6-(2-methyl-1-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 418.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-fluoro-6-(2-methyl-1-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177240880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).