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

C30H29F2N3O2 — CID 142917211

IUPAC4,4-bis(4-fluorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one
SMILESO=C1NC(CCCN2CCC3(CC2)OCc2ccccc23)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C30H29F2N3O2/c31-24-11-7-22(8-12-24)30(23-9-13-25(32)14-10-23)28(36)33-27(34-30)6-3-17-35-18-15-29(16-19-35)26-5-2-1-4-21(26)20-37-29/h1-2,4-5,7-14H,3,6,15-20H2,(H,33,34,36)
InChIKeyWDXAIBVILZUJPQ-UHFFFAOYSA-N
MW501.58 g/mol
LogP5.04
Rot. Bonds6

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

4,4-bis(4-fluorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one (PubChem CID 142917211) has the molecular formula C30H29F2N3O2 and a molecular weight of 501.58 g/mol. Its IUPAC name is 4,4-bis(4-fluorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-bis(4-fluorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one
PubChem CID142917211
Molecular FormulaC30H29F2N3O2
Molecular Weight501.58 g/mol
Exact Mass501.22
IUPAC Name4,4-bis(4-fluorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one
SMILESO=C1NC(CCCN2CCC3(CC2)OCc2ccccc23)=NC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C30H29F2N3O2/c31-24-11-7-22(8-12-24)30(23-9-13-25(32)14-10-23)28(36)33-27(34-30)6-3-17-35-18-15-29(16-19-35)26-5-2-1-4-21(26)20-37-29/h1-2,4-5,7-14H,3,6,15-20H2,(H,33,34,36)
InChIKeyWDXAIBVILZUJPQ-UHFFFAOYSA-N
XLogP5.04
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.58
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-bis(4-fluorophenyl)-3-(2-hydroxy-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-2-propan-2-ylimidazol-4-one
CID 142917679
4,4-bis(4-chlorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one
CID 125505268
[(Z)-3-amino-3-[(2R)-2-[(2-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)amino]-2-phenylacetyl]iminoprop-1-enyl]oxidanium
CID 143719833
(2R)-N-[(Z)-1-amino-3-hydroxyprop-2-enylidene]-2-[(2-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)amino]-2-phenylacetamide
CID 143719834

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-fluorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one?
The IUPAC name of 4,4-bis(4-fluorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one (CID 142917211) is 4,4-bis(4-fluorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one.
What is the SMILES notation for 4,4-bis(4-fluorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one?
The canonical SMILES for 4,4-bis(4-fluorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one is O=C1NC(CCCN2CCC3(CC2)OCc2ccccc23)=NC1(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4,4-bis(4-fluorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one?
The InChIKey is WDXAIBVILZUJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N3O2/c31-24-11-7-22(8-12-24)30(23-9-13-25(32)14-10-23)28(36)33-27(34-30)6-3-17-35-18-15-29(16-19-35)26-5-2-1-4-21(26)20-37-29/h1-2,4-5,7-14H,3,6,15-20H2,(H,33,34,36).
What are the key properties of 4,4-bis(4-fluorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one?
4,4-bis(4-fluorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one has a molecular weight of 501.58 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-fluorophenyl)-2-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)-1H-imidazol-5-one is sourced from PubChem (CID 142917211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).