5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-oxo-1,2-dihydropyrrol-5-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione

C25H20N4O6 — CID 58053780

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

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-oxo-1,2-dihydropyrrol-5-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione (PubChem CID 58053780) has the molecular formula C25H20N4O6 and a molecular weight of 472.46 g/mol. Its IUPAC name is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-oxo-1,2-dihydropyrrol-5-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-oxo-1,2-dihydropyrrol-5-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione
• PubChem CID: 58053780
• Molecular Formula: C25H20N4O6
• Molecular Weight: 472.46 g/mol
• Exact Mass: 472.14
• IUPAC Name: 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-oxo-1,2-dihydropyrrol-5-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(c3cc4cc(C5=CC(=O)CN5)ccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C25H20N4O6/c1-34-17-4-2-14-11-29(22(31)18(14)9-17)12-25(23(32)27-24(33)28-25)21-7-15-6-13(3-5-20(15)35-21)19-8-16(30)10-26-19/h2-9,26H,10-12H2,1H3,(H2,27,28,32,33)
• InChIKey: CZUGSDBJNWSEHJ-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 129.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.46
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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-[5-(3-oxo-1,2-dihydropyrrol-5-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione?

The IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-oxo-1,2-dihydropyrrol-5-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione (CID 58053780) is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-oxo-1,2-dihydropyrrol-5-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione.

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

The canonical SMILES for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-oxo-1,2-dihydropyrrol-5-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3cc4cc(C5=CC(=O)CN5)ccc4o3)NC(=O)NC1=O)C2.

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

The InChIKey is CZUGSDBJNWSEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O6/c1-34-17-4-2-14-11-29(22(31)18(14)9-17)12-25(23(32)27-24(33)28-25)21-7-15-6-13(3-5-20(15)35-21)19-8-16(30)10-26-19/h2-9,26H,10-12H2,1H3,(H2,27,28,32,33).

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

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-oxo-1,2-dihydropyrrol-5-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione has a molecular weight of 472.46 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(3-oxo-1,2-dihydropyrrol-5-yl)-1-benzofuran-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 58053780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).