5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one

C34H32F3N3OS — CID 142917446

IUPAC5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
SMILESO=C1N(CCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)C(c2cccs2)=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32F3N3OS/c35-34(36,37)29-15-7-10-26(24-29)25-17-21-39(22-18-25)19-9-20-40-31(30-16-8-23-42-30)38-33(32(40)41,27-11-3-1-4-12-27)28-13-5-2-6-14-28/h1-8,10-16,23-25H,9,17-22H2
InChIKeyBTEKGNXJCONQCH-UHFFFAOYSA-N
MW587.71 g/mol
LogP7.57
Rot. Bonds8

About 5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one

5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one (PubChem CID 142917446) has the molecular formula C34H32F3N3OS and a molecular weight of 587.71 g/mol. Its IUPAC name is 5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one.

Molecular Properties

Compound Name5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
PubChem CID142917446
Molecular FormulaC34H32F3N3OS
Molecular Weight587.71 g/mol
Exact Mass587.22
IUPAC Name5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
SMILESO=C1N(CCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)C(c2cccs2)=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32F3N3OS/c35-34(36,37)29-15-7-10-26(24-29)25-17-21-39(22-18-25)19-9-20-40-31(30-16-8-23-42-30)38-33(32(40)41,27-11-3-1-4-12-27)28-13-5-2-6-14-28/h1-8,10-16,23-25H,9,17-22H2
InChIKeyBTEKGNXJCONQCH-UHFFFAOYSA-N
XLogP7.57
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.71
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one with MolForge

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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-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-thiophen-2-ylimidazol-1-yl]-N-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
CID 142917628
5,5-Diphenyl-2-thiophen-2-yl-3-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]imidazol-4-one
CID 142917665
5,5-Bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one
CID 142917326
3-[2-[Ethyl(methyl)amino]-2-hydroxyethyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one
CID 142917505
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
N,N,3-trimethyl-4-[5-[2-[4-oxo-2-[3-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]ethyl]thiophen-2-yl]benzamide
CID 153654569
2-Amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 59387095
1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one
CID 69261001

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The IUPAC name of 5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one (CID 142917446) is 5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one.
What is the SMILES notation for 5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The canonical SMILES for 5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one is O=C1N(CCCN2CCC(c3cccc(C(F)(F)F)c3)CC2)C(c2cccs2)=NC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
The InChIKey is BTEKGNXJCONQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3N3OS/c35-34(36,37)29-15-7-10-26(24-29)25-17-21-39(22-18-25)19-9-20-40-31(30-16-8-23-42-30)38-33(32(40)41,27-11-3-1-4-12-27)28-13-5-2-6-14-28/h1-8,10-16,23-25H,9,17-22H2.
What are the key properties of 5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one?
5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one has a molecular weight of 587.71 g/mol, XLogP of 7.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one is sourced from PubChem (CID 142917446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).