5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione

C34H37N3O3 — CID 22961000

About 5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione

5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione (PubChem CID 22961000) has the molecular formula C34H37N3O3 and a molecular weight of 535.69 g/mol. Its IUPAC name is 5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione
• PubChem CID: 22961000
• Molecular Formula: C34H37N3O3
• Molecular Weight: 535.69 g/mol
• Exact Mass: 535.28
• IUPAC Name: 5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione
• SMILES: Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CCCCN3CCC4(CC3)C(=O)Cc3ccccc34)C2=O)cc1
• InChI: InChI=1S/C34H37N3O3/c1-24-9-13-27(14-10-24)34(28-15-11-25(2)12-16-28)31(39)37(32(40)35-34)20-6-5-19-36-21-17-33(18-22-36)29-8-4-3-7-26(29)23-30(33)38/h3-4,7-16H,5-6,17-23H2,1-2H3,(H,35,40)
• InChIKey: FYRDUOYUTGALRS-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.69
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione?

The IUPAC name of 5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione (CID 22961000) is 5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione?

The canonical SMILES for 5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione is Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(CCCCN3CCC4(CC3)C(=O)Cc3ccccc34)C2=O)cc1.

What is the InChIKey of 5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione?

The InChIKey is FYRDUOYUTGALRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O3/c1-24-9-13-27(14-10-24)34(28-15-11-25(2)12-16-28)31(39)37(32(40)35-34)20-6-5-19-36-21-17-33(18-22-36)29-8-4-3-7-26(29)23-30(33)38/h3-4,7-16H,5-6,17-23H2,1-2H3,(H,35,40).

What are the key properties of 5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione?

5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione has a molecular weight of 535.69 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-bis(4-methylphenyl)-3-[4-(2-oxospiro[1H-indene-3,4'-piperidine]-1'-yl)butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 22961000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).