3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione

C31H36N4O4 — CID 11342048

About 3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione

3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 11342048) has the molecular formula C31H36N4O4 and a molecular weight of 528.65 g/mol. Its IUPAC name is 3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione
• PubChem CID: 11342048
• Molecular Formula: C31H36N4O4
• Molecular Weight: 528.65 g/mol
• Exact Mass: 528.27
• IUPAC Name: 3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione
• SMILES: CCN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O
• InChI: InChI=1S/C31H36N4O4/c1-3-34-29(37)31(24-12-6-4-7-13-24,25-14-8-5-9-15-25)35(30(34)38)23-26(36)22-32-18-20-33(21-19-32)27-16-10-11-17-28(27)39-2/h4-17,26,36H,3,18-23H2,1-2H3
• InChIKey: BBFXZBCUCLIVQU-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 76.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.65
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione?

The IUPAC name of 3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione (CID 11342048) is 3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione.

What is the SMILES notation for 3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione?

The canonical SMILES for 3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione is CCN1C(=O)N(CC(O)CN2CCN(c3ccccc3OC)CC2)C(c2ccccc2)(c2ccccc2)C1=O.

What is the InChIKey of 3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione?

The InChIKey is BBFXZBCUCLIVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O4/c1-3-34-29(37)31(24-12-6-4-7-13-24,25-14-8-5-9-15-25)35(30(34)38)23-26(36)22-32-18-20-33(21-19-32)27-16-10-11-17-28(27)39-2/h4-17,26,36H,3,18-23H2,1-2H3.

What are the key properties of 3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione?

3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 528.65 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 11342048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).