3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

C30H26N4O4 — CID 67335136

About 3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 67335136) has the molecular formula C30H26N4O4 and a molecular weight of 506.56 g/mol. Its IUPAC name is 3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 67335136
• Molecular Formula: C30H26N4O4
• Molecular Weight: 506.56 g/mol
• Exact Mass: 506.20
• IUPAC Name: 3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3c(OCc4ccc(Cn5cnc(-c6ccccc6)c5)cc4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C30H26N4O4/c35-28-14-13-26(29(36)32-28)34-16-24-23(30(34)37)7-4-8-27(24)38-18-21-11-9-20(10-12-21)15-33-17-25(31-19-33)22-5-2-1-3-6-22/h1-12,17,19,26H,13-16,18H2,(H,32,35,36)
• InChIKey: JHKVHDJCIDXLHF-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.56
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 67335136) is 3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(OCc4ccc(Cn5cnc(-c6ccccc6)c5)cc4)cccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is JHKVHDJCIDXLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4/c35-28-14-13-26(29(36)32-28)34-16-24-23(30(34)37)7-4-8-27(24)38-18-21-11-9-20(10-12-21)15-33-17-25(31-19-33)22-5-2-1-3-6-22/h1-12,17,19,26H,13-16,18H2,(H,32,35,36).

What are the key properties of 3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 506.56 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-oxo-7-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 67335136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).