2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide

C32H27F3N4O2S — CID 142917628

IUPAC2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
SMILESO=C(CN1C(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)N=C1c1cccs1)NN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C32H27F3N4O2S/c33-25-9-3-21(4-10-25)22-15-17-38(18-16-22)37-29(40)20-39-30(28-2-1-19-42-28)36-32(31(39)41,23-5-11-26(34)12-6-23)24-7-13-27(35)14-8-24/h1-14,19,22H,15-18,20H2,(H,37,40)
InChIKeyZPJNGGGVOZUGHN-UHFFFAOYSA-N
MW588.66 g/mol
LogP5.61
Rot. Bonds7

About 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide

2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide (PubChem CID 142917628) has the molecular formula C32H27F3N4O2S and a molecular weight of 588.66 g/mol. Its IUPAC name is 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
PubChem CID142917628
Molecular FormulaC32H27F3N4O2S
Molecular Weight588.66 g/mol
Exact Mass588.18
IUPAC Name2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
SMILESO=C(CN1C(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)N=C1c1cccs1)NN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C32H27F3N4O2S/c33-25-9-3-21(4-10-25)22-15-17-38(18-16-22)37-29(40)20-39-30(28-2-1-19-42-28)36-32(31(39)41,23-5-11-26(34)12-6-23)24-7-13-27(35)14-8-24/h1-14,19,22H,15-18,20H2,(H,37,40)
InChIKeyZPJNGGGVOZUGHN-UHFFFAOYSA-N
XLogP5.61
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.66
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[4-(4-Fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one
CID 142917441
5,5-Diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917446
5,5-Bis(4-fluorophenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-2-thiophen-2-ylimidazol-4-one
CID 142917577
5,5-Bis(4-fluorophenyl)-3-[3-[4-(2-fluorophenyl)piperidin-1-yl]-2-hydroxypropyl]-2-thiophen-2-ylimidazol-4-one
CID 142917620
2-[4,4-bis(4-fluorophenyl)-5-oxo-2-phenylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
CID 142917722
3-[3-[4-Ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one
CID 142917672
3-Ethyl-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one
CID 142917718
5,5-Diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one
CID 91271284
3-[3-[4-(4-Methylphenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one
CID 142917315
1-Butan-2-yl-4-fluorobenzene;3-[2-[ethyl(methyl)amino]-2-hydroxyethyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one
CID 142917504
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one
CID 142917657
Ethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one
CID 142917671

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide (CID 142917628) is 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide is O=C(CN1C(=O)C(c2ccc(F)cc2)(c2ccc(F)cc2)N=C1c1cccs1)NN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide?
The InChIKey is ZPJNGGGVOZUGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F3N4O2S/c33-25-9-3-21(4-10-25)22-15-17-38(18-16-22)37-29(40)20-39-30(28-2-1-19-42-28)36-32(31(39)41,23-5-11-26(34)12-6-23)24-7-13-27(35)14-8-24/h1-14,19,22H,15-18,20H2,(H,37,40).
What are the key properties of 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide?
2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide has a molecular weight of 588.66 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-bis(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 142917628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).