5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one

C31H32F2N4O2 — CID 142917511

About 5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one

5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one (PubChem CID 142917511) has the molecular formula C31H32F2N4O2 and a molecular weight of 530.62 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one.

Molecular Properties

• Compound Name: 5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one
• PubChem CID: 142917511
• Molecular Formula: C31H32F2N4O2
• Molecular Weight: 530.62 g/mol
• Exact Mass: 530.25
• IUPAC Name: 5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one
• SMILES: C/N=C1\NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC2(CC1)COc1ccccc12
• InChI: InChI=1S/C31H32F2N4O2/c1-34-29-35-31(22-7-11-24(32)12-8-22,23-9-13-25(33)14-10-23)28(38)37(29)18-4-17-36-19-15-30(16-20-36)21-39-27-6-3-2-5-26(27)30/h2-3,5-14H,4,15-21H2,1H3,(H,34,35)
• InChIKey: YFFMLZLMUBOCFQ-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 57.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.62
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one?

The IUPAC name of 5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one (CID 142917511) is 5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one.

What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one?

The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one is C/N=C1\NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCCN1CCC2(CC1)COc1ccccc12.

What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one?

The InChIKey is YFFMLZLMUBOCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N4O2/c1-34-29-35-31(22-7-11-24(32)12-8-22,23-9-13-25(33)14-10-23)28(38)37(29)18-4-17-36-19-15-30(16-20-36)21-39-27-6-3-2-5-26(27)30/h2-3,5-14H,4,15-21H2,1H3,(H,34,35).

What are the key properties of 5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one?

5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one has a molecular weight of 530.62 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one is sourced from PubChem (CID 142917511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).