5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

C53H61F2N7O11Si2 — CID 160725262

About 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (PubChem CID 160725262) has the molecular formula C53H61F2N7O11Si2 and a molecular weight of 1066.28 g/mol. Its IUPAC name is 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
• PubChem CID: 160725262
• Molecular Formula: C53H61F2N7O11Si2
• Molecular Weight: 1066.28 g/mol
• Exact Mass: 1065.39
• IUPAC Name: 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
• SMILES: C[Si](C)(C)CCOCN1C(=O)NC(CN2Cc3ccc(F)cc3C2=O)(c2ccccc2O)C1=O.Cc1ncoc1COc1ccccc1C1(CN2Cc3ccc(F)cc3C2=O)NC(=O)N(COCC[Si](C)(C)C)C1=O
• InChI: InChI=1S/C29H33FN4O6Si.C24H28FN3O5Si/c1-19-25(40-17-31-19)15-39-24-8-6-5-7-23(24)29(16-33-14-20-9-10-21(30)13-22(20)26(33)35)27(36)34(28(37)32-29)18-38-11-12-41(2,3)4;1-34(2,3)11-10-33-15-28-22(31)24(26-23(28)32,19-6-4-5-7-20(19)29)14-27-13-16-8-9-17(25)12-18(16)21(27)30/h5-10,13,17H,11-12,14-16,18H2,1-4H3,(H,32,37);4-9,12,29H,10-11,13-15H2,1-3H3,(H,26,32)
• InChIKey: RTPWJGPPIFWHKT-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 213.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1066.28
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'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-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

The IUPAC name of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (CID 160725262) is 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is C[Si](C)(C)CCOCN1C(=O)NC(CN2Cc3ccc(F)cc3C2=O)(c2ccccc2O)C1=O.Cc1ncoc1COc1ccccc1C1(CN2Cc3ccc(F)cc3C2=O)NC(=O)N(COCC[Si](C)(C)C)C1=O.

What is the InChIKey of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

The InChIKey is RTPWJGPPIFWHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O6Si.C24H28FN3O5Si/c1-19-25(40-17-31-19)15-39-24-8-6-5-7-23(24)29(16-33-14-20-9-10-21(30)13-22(20)26(33)35)27(36)34(28(37)32-29)18-38-11-12-41(2,3)4;1-34(2,3)11-10-33-15-28-22(31)24(26-23(28)32,19-6-4-5-7-20(19)29)14-27-13-16-8-9-17(25)12-18(16)21(27)30/h5-10,13,17H,11-12,14-16,18H2,1-4H3,(H,32,37);4-9,12,29H,10-11,13-15H2,1-3H3,(H,26,32).

What are the key properties of 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione has a molecular weight of 1066.28 g/mol, XLogP of 7.66, 19 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-hydroxyphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[(4-methyl-1,3-oxazol-5-yl)methoxy]phenyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 160725262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).