5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one

C35H33F2N3OS — CID 142917577

About 5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one

5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one (PubChem CID 142917577) has the molecular formula C35H33F2N3OS and a molecular weight of 581.73 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one.

Molecular Properties

• Compound Name: 5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one
• PubChem CID: 142917577
• Molecular Formula: C35H33F2N3OS
• Molecular Weight: 581.73 g/mol
• Exact Mass: 581.23
• IUPAC Name: 5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one
• SMILES: O=C1N(CCCN2CCC3(CCc4ccccc43)CC2)C(c2cccs2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
• InChI: InChI=1S/C35H33F2N3OS/c36-28-12-8-26(9-13-28)35(27-10-14-29(37)15-11-27)33(41)40(32(38-35)31-7-3-24-42-31)21-4-20-39-22-18-34(19-23-39)17-16-25-5-1-2-6-30(25)34/h1-3,5-15,24H,4,16-23H2
• InChIKey: HASZUFQPZCHFPO-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 35.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.73
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one?

The IUPAC name of 5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one (CID 142917577) is 5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one.

What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one?

The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one is O=C1N(CCCN2CCC3(CCc4ccccc43)CC2)C(c2cccs2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1.

What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one?

The InChIKey is HASZUFQPZCHFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F2N3OS/c36-28-12-8-26(9-13-28)35(27-10-14-29(37)15-11-27)33(41)40(32(38-35)31-7-3-24-42-31)21-4-20-39-22-18-34(19-23-39)17-16-25-5-1-2-6-30(25)34/h1-3,5-15,24H,4,16-23H2.

What are the key properties of 5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one?

5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one has a molecular weight of 581.73 g/mol, XLogP of 6.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one is sourced from PubChem (CID 142917577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).