(5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

C29H32N4O5Si — CID 91348983

About (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione

(5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (PubChem CID 91348983) has the molecular formula C29H32N4O5Si and a molecular weight of 544.68 g/mol. Its IUPAC name is (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
• PubChem CID: 91348983
• Molecular Formula: C29H32N4O5Si
• Molecular Weight: 544.68 g/mol
• Exact Mass: 544.21
• IUPAC Name: (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
• SMILES: C[Si](C)(C)CCOCN1C(=O)N[C@@](Cn2cc3ccc(O)cc3c2O)(c2ccc(-c3ccncc3)cc2)C1=O
• InChI: InChI=1S/C29H32N4O5Si/c1-39(2,3)15-14-38-19-33-27(36)29(31-28(33)37,18-32-17-22-6-9-24(34)16-25(22)26(32)35)23-7-4-20(5-8-23)21-10-12-30-13-11-21/h4-13,16-17,34-35H,14-15,18-19H2,1-3H3,(H,31,37)/t29-/m0/s1
• InChIKey: OEVLDEPWYZAMLL-LJAQVGFWSA-N
• XLogP: 4.87
• TPSA: 116.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.68
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	3
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-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione (CID 91348983) is (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is C[Si](C)(C)CCOCN1C(=O)N[C@@](Cn2cc3ccc(O)cc3c2O)(c2ccc(-c3ccncc3)cc2)C1=O.

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

The InChIKey is OEVLDEPWYZAMLL-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H32N4O5Si/c1-39(2,3)15-14-38-19-33-27(36)29(31-28(33)37,18-32-17-22-6-9-24(34)16-25(22)26(32)35)23-7-4-20(5-8-23)21-10-12-30-13-11-21/h4-13,16-17,34-35H,14-15,18-19H2,1-3H3,(H,31,37)/t29-/m0/s1.

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

(5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione has a molecular weight of 544.68 g/mol, XLogP of 4.87, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 91348983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).