(5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C24H19N5O7 — CID 24889016

About (5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

(5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 24889016) has the molecular formula C24H19N5O7 and a molecular weight of 489.44 g/mol. Its IUPAC name is (5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 24889016
• Molecular Formula: C24H19N5O7
• Molecular Weight: 489.44 g/mol
• Exact Mass: 489.13
• IUPAC Name: (5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ccc(C5NC(=O)NC5=O)cc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C24H19N5O7/c1-35-14-5-4-13-9-29(20(31)15(13)8-14)10-24(21(32)27-23(34)28-24)17-7-11-2-3-12(6-16(11)36-17)18-19(30)26-22(33)25-18/h2-8,18H,9-10H2,1H3,(H2,25,26,30,33)(H2,27,28,32,34)/t18?,24-/m0/s1
• InChIKey: LTRSOUKQRXYDNJ-LUTIACGYSA-N
• XLogP: 1.01
• TPSA: 159.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.44
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	4
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 (5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 24889016) is (5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ccc(C5NC(=O)NC5=O)cc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is LTRSOUKQRXYDNJ-LUTIACGYSA-N. The full InChI is InChI=1S/C24H19N5O7/c1-35-14-5-4-13-9-29(20(31)15(13)8-14)10-24(21(32)27-23(34)28-24)17-7-11-2-3-12(6-16(11)36-17)18-19(30)26-22(33)25-18/h2-8,18H,9-10H2,1H3,(H2,25,26,30,33)(H2,27,28,32,34)/t18?,24-/m0/s1.

What are the key properties of (5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?

(5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 489.44 g/mol, XLogP of 1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[6-(2,5-dioxoimidazolidin-4-yl)-1-benzofuran-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24889016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).