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

C36H33F2N3O2 — CID 142917274

IUPAC5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one
SMILESO=C1N(CCCN2CCC3(CC2)COc2ccccc23)C(c2ccccc2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C36H33F2N3O2/c37-29-15-11-27(12-16-29)36(28-13-17-30(38)18-14-28)34(42)41(33(39-36)26-7-2-1-3-8-26)22-6-21-40-23-19-35(20-24-40)25-43-32-10-5-4-9-31(32)35/h1-5,7-18H,6,19-25H2
InChIKeyARXWNYSOFAXOOM-UHFFFAOYSA-N
MW577.68 g/mol
LogP6.31
Rot. Bonds7

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

5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one (PubChem CID 142917274) has the molecular formula C36H33F2N3O2 and a molecular weight of 577.68 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one
PubChem CID142917274
Molecular FormulaC36H33F2N3O2
Molecular Weight577.68 g/mol
Exact Mass577.25
IUPAC Name5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one
SMILESO=C1N(CCCN2CCC3(CC2)COc2ccccc23)C(c2ccccc2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C36H33F2N3O2/c37-29-15-11-27(12-16-29)36(28-13-17-30(38)18-14-28)34(42)41(33(39-36)26-7-2-1-3-8-26)22-6-21-40-23-19-35(20-24-40)25-43-32-10-5-4-9-31(32)35/h1-5,7-18H,6,19-25H2
InChIKeyARXWNYSOFAXOOM-UHFFFAOYSA-N
XLogP6.31
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.68
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-[(5-Fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methyl]-5,5-bis(4-fluorophenyl)-2-methylimidazol-4-one
CID 10459749
5,5-bis(4-fluorophenyl)-2-methyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one
CID 142917240
5,5-Bis(4-fluorophenyl)-2-methyl-3-[3-(4-phenoxypiperidin-1-yl)propyl]imidazol-4-one
CID 142917376
3-[1-[(5-Fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]-2-methyl-5,5-diphenylimidazol-4-one
CID 142917424
ethane;5-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917500
5,5-bis(4-fluorophenyl)-2-methylimino-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazolidin-4-one
CID 142917511
2-ethyl-5,5-bis(4-fluorophenyl)-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one
CID 142917615
5,5-Bis(4-fluorophenyl)-3-[2-hydroxy-3-[4-(4-methoxyphenyl)piperidin-1-yl]propyl]-2-phenylimidazol-4-one
CID 142917629
5,5-Bis(4-fluorophenyl)-2-(4-methoxyphenyl)-3-[3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917636
5,5-Bis(4-fluorophenyl)-2-methyl-3-[3-[4-(4-methylphenoxy)piperidin-1-yl]propyl]imidazol-4-one
CID 142917662
5,5-Bis(4-fluorophenyl)-3-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-2-methylimidazol-4-one
CID 142917758
5-(3-Fluorophenyl)-5-(4-fluorophenyl)-2-methyl-3-[3-[4-(4-methylphenoxy)piperidin-1-yl]propyl]imidazol-4-one
CID 10031970

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one (CID 142917274) is 5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one is O=C1N(CCCN2CCC3(CC2)COc2ccccc23)C(c2ccccc2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one?
The InChIKey is ARXWNYSOFAXOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33F2N3O2/c37-29-15-11-27(12-16-29)36(28-13-17-30(38)18-14-28)34(42)41(33(39-36)26-7-2-1-3-8-26)22-6-21-40-23-19-35(20-24-40)25-43-32-10-5-4-9-31(32)35/h1-5,7-18H,6,19-25H2.
What are the key properties of 5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one?
5,5-bis(4-fluorophenyl)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one has a molecular weight of 577.68 g/mol, XLogP of 6.31, 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)-2-phenyl-3-(3-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropyl)imidazol-4-one is sourced from PubChem (CID 142917274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).