3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C31H32N4O6 — CID 176989747

About 3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 176989747) has the molecular formula C31H32N4O6 and a molecular weight of 556.62 g/mol. Its IUPAC name is 3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 176989747
• Molecular Formula: C31H32N4O6
• Molecular Weight: 556.62 g/mol
• Exact Mass: 556.23
• IUPAC Name: 3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(CN4CCN(c5ccccc5OCc5ccc(CO)cc5)C4=O)ccc3C2O)C(=O)N1
• InChI: InChI=1S/C31H32N4O6/c36-18-20-5-7-21(8-6-20)19-41-27-4-2-1-3-25(27)34-14-13-33(31(34)40)16-22-9-10-24-23(15-22)17-35(30(24)39)26-11-12-28(37)32-29(26)38/h1-10,15,26,30,36,39H,11-14,16-19H2,(H,32,37,38)
• InChIKey: ANYNSGDHTOYVNQ-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 122.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.62
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 176989747) is 3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(CN4CCN(c5ccccc5OCc5ccc(CO)cc5)C4=O)ccc3C2O)C(=O)N1.

What is the InChIKey of 3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?

The InChIKey is ANYNSGDHTOYVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O6/c36-18-20-5-7-21(8-6-20)19-41-27-4-2-1-3-25(27)34-14-13-33(31(34)40)16-22-9-10-24-23(15-22)17-35(30(24)39)26-11-12-28(37)32-29(26)38/h1-10,15,26,30,36,39H,11-14,16-19H2,(H,32,37,38).

What are the key properties of 3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?

3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 556.62 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-hydroxy-5-[[3-[2-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 176989747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).