5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

C37H47F2N5O9Si2 — CID 161063506

About 5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (PubChem CID 161063506) has the molecular formula C37H47F2N5O9Si2 and a molecular weight of 799.98 g/mol. Its IUPAC name is 5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
• PubChem CID: 161063506
• Molecular Formula: C37H47F2N5O9Si2
• Molecular Weight: 799.98 g/mol
• Exact Mass: 799.29
• IUPAC Name: 5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1F)C(=O)N(C[C@]1(c3cc4cc(C5(C)NC(=O)N(COCC[Si](C)(C)C)C5=O)c(F)cc4o3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2
• InChI: InChI=1S/C37H47F2N5O9Si2/c1-36(32(46)43(34(48)40-36)20-51-11-13-54(3,4)5)24-15-23-16-28(53-27(23)17-25(24)38)37(33(47)44(35(49)41-37)21-52-12-14-55(6,7)8)19-42-18-22-9-10-26(50-2)30(39)29(22)31(42)45/h9-10,15-17H,11-14,18-21H2,1-8H3,(H,40,48)(H,41,49)/t36?,37-/m1/s1
• InChIKey: QCKDJIOQRZGZFY-SLKOVYPGSA-N
• XLogP: 5.51
• TPSA: 159.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.98
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

The IUPAC name of 5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (CID 161063506) is 5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

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

The canonical SMILES for 5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is COc1ccc2c(c1F)C(=O)N(C[C@]1(c3cc4cc(C5(C)NC(=O)N(COCC[Si](C)(C)C)C5=O)c(F)cc4o3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2.

What is the InChIKey of 5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

The InChIKey is QCKDJIOQRZGZFY-SLKOVYPGSA-N. The full InChI is InChI=1S/C37H47F2N5O9Si2/c1-36(32(46)43(34(48)40-36)20-51-11-13-54(3,4)5)24-15-23-16-28(53-27(23)17-25(24)38)37(33(47)44(35(49)41-37)21-52-12-14-55(6,7)8)19-42-18-22-9-10-26(50-2)30(39)29(22)31(42)45/h9-10,15-17H,11-14,18-21H2,1-8H3,(H,40,48)(H,41,49)/t36?,37-/m1/s1.

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

5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione has a molecular weight of 799.98 g/mol, XLogP of 5.51, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 161063506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).