(4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one

C25H32N2O3Si — CID 11774941

About (4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one

(4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one (PubChem CID 11774941) has the molecular formula C25H32N2O3Si and a molecular weight of 436.63 g/mol. Its IUPAC name is (4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one.

Molecular Properties

• Compound Name: (4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
• PubChem CID: 11774941
• Molecular Formula: C25H32N2O3Si
• Molecular Weight: 436.63 g/mol
• Exact Mass: 436.22
• IUPAC Name: (4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
• SMILES: COc1ccc([C@H](O)C(=C=CN2C(=O)N(C)[C@@H](C)[C@H]2c2ccccc2)[Si](C)(C)C)cc1
• InChI: InChI=1S/C25H32N2O3Si/c1-18-23(19-10-8-7-9-11-19)27(25(29)26(18)2)17-16-22(31(4,5)6)24(28)20-12-14-21(30-3)15-13-20/h7-15,17-18,23-24,28H,1-6H3/t16?,18-,23-,24-/m0/s1
• InChIKey: HJXDWFJEHARDGQ-JFHOTQKMSA-N
• XLogP: 5.14
• TPSA: 53.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.63
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one?

The IUPAC name of (4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one (CID 11774941) is (4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one.

What is the SMILES notation for (4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one?

The canonical SMILES for (4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one is COc1ccc([C@H](O)C(=C=CN2C(=O)N(C)[C@@H](C)[C@H]2c2ccccc2)[Si](C)(C)C)cc1.

What is the InChIKey of (4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one?

The InChIKey is HJXDWFJEHARDGQ-JFHOTQKMSA-N. The full InChI is InChI=1S/C25H32N2O3Si/c1-18-23(19-10-8-7-9-11-19)27(25(29)26(18)2)17-16-22(31(4,5)6)24(28)20-12-14-21(30-3)15-13-20/h7-15,17-18,23-24,28H,1-6H3/t16?,18-,23-,24-/m0/s1.

What are the key properties of (4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one?

(4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one has a molecular weight of 436.63 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-1-[(4S)-4-hydroxy-4-(4-methoxyphenyl)-3-trimethylsilylbuta-1,2-dienyl]-3,4-dimethyl-5-phenylimidazolidin-2-one is sourced from PubChem (CID 11774941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).