(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

C29H38N4O6Si — CID 71167419

About (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (PubChem CID 71167419) has the molecular formula C29H38N4O6Si and a molecular weight of 566.73 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
• PubChem CID: 71167419
• Molecular Formula: C29H38N4O6Si
• Molecular Weight: 566.73 g/mol
• Exact Mass: 566.26
• IUPAC Name: (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(N4CCOCC4)cc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2
• InChI: InChI=1S/C29H38N4O6Si/c1-37-24-10-5-21-18-32(26(34)25(21)17-24)19-29(22-6-8-23(9-7-22)31-11-13-38-14-12-31)27(35)33(28(36)30-29)20-39-15-16-40(2,3)4/h5-10,17H,11-16,18-20H2,1-4H3,(H,30,36)/t29-/m0/s1
• InChIKey: BAWSYMXOQVJUSV-LJAQVGFWSA-N
• XLogP: 3.25
• TPSA: 100.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.73
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (CID 71167419) is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(N4CCOCC4)cc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2.

What is the InChIKey of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

The InChIKey is BAWSYMXOQVJUSV-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H38N4O6Si/c1-37-24-10-5-21-18-32(26(34)25(21)17-24)19-29(22-6-8-23(9-7-22)31-11-13-38-14-12-31)27(35)33(28(36)30-29)20-39-15-16-40(2,3)4/h5-10,17H,11-16,18-20H2,1-4H3,(H,30,36)/t29-/m0/s1.

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

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione has a molecular weight of 566.73 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-morpholin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 71167419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).