(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione

C24H17F2N3O6 — CID 58053369

About (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione (PubChem CID 58053369) has the molecular formula C24H17F2N3O6 and a molecular weight of 481.41 g/mol. Its IUPAC name is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione
• PubChem CID: 58053369
• Molecular Formula: C24H17F2N3O6
• Molecular Weight: 481.41 g/mol
• Exact Mass: 481.11
• IUPAC Name: (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(F)c4o3)CCC5=O)NC(=O)NC1=O)C2
• InChI: InChI=1S/C24H17F2N3O6/c1-34-15-5-2-10-8-29(21(31)17(10)19(15)26)9-24(22(32)27-23(33)28-24)16-7-11-6-13-12(3-4-14(13)30)18(25)20(11)35-16/h2,5-7H,3-4,8-9H2,1H3,(H2,27,28,32,33)/t24-/m0/s1
• InChIKey: HYTSIWXMPZOCRR-DEOSSOPVSA-N
• XLogP: 2.54
• TPSA: 117.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.41
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
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 (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione (CID 58053369) is (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(F)c4o3)CCC5=O)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione?

The InChIKey is HYTSIWXMPZOCRR-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H17F2N3O6/c1-34-15-5-2-10-8-29(21(31)17(10)19(15)26)9-24(22(32)27-23(33)28-24)16-7-11-6-13-12(3-4-14(13)30)18(25)20(11)35-16/h2,5-7H,3-4,8-9H2,1H3,(H2,27,28,32,33)/t24-/m0/s1.

What are the key properties of (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione?

(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione has a molecular weight of 481.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-fluoro-5-oxo-6,7-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 58053369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).