5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione

C23H18N4O6 — CID 75171753

About 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione (PubChem CID 75171753) has the molecular formula C23H18N4O6 and a molecular weight of 446.42 g/mol. Its IUPAC name is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione
• PubChem CID: 75171753
• Molecular Formula: C23H18N4O6
• Molecular Weight: 446.42 g/mol
• Exact Mass: 446.12
• IUPAC Name: 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(c3cc4c5c(ccc4o3)C(=O)NC5)NC(=O)NC1=O)C2
• InChI: InChI=1S/C23H18N4O6/c1-32-12-3-2-11-9-27(20(29)14(11)6-12)10-23(21(30)25-22(31)26-23)18-7-15-16-8-24-19(28)13(16)4-5-17(15)33-18/h2-7H,8-10H2,1H3,(H,24,28)(H2,25,26,30,31)
• InChIKey: COKXCCQSXFVWOX-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 129.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.42
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione?

The IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione (CID 75171753) is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3cc4c5c(ccc4o3)C(=O)NC5)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione?

The InChIKey is COKXCCQSXFVWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O6/c1-32-12-3-2-11-9-27(20(29)14(11)6-12)10-23(21(30)25-22(31)26-23)18-7-15-16-8-24-19(28)13(16)4-5-17(15)33-18/h2-7H,8-10H2,1H3,(H,24,28)(H2,25,26,30,31).

What are the key properties of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione?

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione has a molecular weight of 446.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 75171753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).