(5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

C25H30BrN3O5Si — CID 90981559

About (5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

(5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (PubChem CID 90981559) has the molecular formula C25H30BrN3O5Si and a molecular weight of 560.52 g/mol. Its IUPAC name is (5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
• PubChem CID: 90981559
• Molecular Formula: C25H30BrN3O5Si
• Molecular Weight: 560.52 g/mol
• Exact Mass: 559.11
• IUPAC Name: (5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
• SMILES: COc1ccc2cn(C[C@@]3(c4ccc(Br)cc4)NC(=O)N(COCC[Si](C)(C)C)C3=O)c(O)c2c1
• InChI: InChI=1S/C25H30BrN3O5Si/c1-33-20-10-5-17-14-28(22(30)21(17)13-20)15-25(18-6-8-19(26)9-7-18)23(31)29(24(32)27-25)16-34-11-12-35(2,3)4/h5-10,13-14,30H,11-12,15-16H2,1-4H3,(H,27,32)/t25-/m0/s1
• InChIKey: UVBIBSNUROMYGV-VWLOTQADSA-N
• XLogP: 4.88
• TPSA: 93.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.52
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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 (5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (CID 90981559) is (5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is COc1ccc2cn(C[C@@]3(c4ccc(Br)cc4)NC(=O)N(COCC[Si](C)(C)C)C3=O)c(O)c2c1.

What is the InChIKey of (5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

The InChIKey is UVBIBSNUROMYGV-VWLOTQADSA-N. The full InChI is InChI=1S/C25H30BrN3O5Si/c1-33-20-10-5-17-14-28(22(30)21(17)13-20)15-25(18-6-8-19(26)9-7-18)23(31)29(24(32)27-25)16-34-11-12-35(2,3)4/h5-10,13-14,30H,11-12,15-16H2,1-4H3,(H,27,32)/t25-/m0/s1.

What are the key properties of (5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

(5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione has a molecular weight of 560.52 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(4-bromophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 90981559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).