3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one

C33H32FN3OS — CID 142917441

IUPAC3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one
SMILESO=C1N(CCCN2CCC(c3ccc(F)cc3)CC2)C(c2cccs2)=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H32FN3OS/c34-29-16-14-25(15-17-29)26-18-22-36(23-19-26)20-8-21-37-31(30-13-7-24-39-30)35-33(32(37)38,27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-7,9-17,24,26H,8,18-23H2
InChIKeyVAUVLBRLRIFDQP-UHFFFAOYSA-N
MW537.70 g/mol
LogP6.69
Rot. Bonds8

About 3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one

3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one (PubChem CID 142917441) has the molecular formula C33H32FN3OS and a molecular weight of 537.70 g/mol. Its IUPAC name is 3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one.

Molecular Properties

Compound Name3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one
PubChem CID142917441
Molecular FormulaC33H32FN3OS
Molecular Weight537.70 g/mol
Exact Mass537.23
IUPAC Name3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one
SMILESO=C1N(CCCN2CCC(c3ccc(F)cc3)CC2)C(c2cccs2)=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H32FN3OS/c34-29-16-14-25(15-17-29)26-18-22-36(23-19-26)20-8-21-37-31(30-13-7-24-39-30)35-33(32(37)38,27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-7,9-17,24,26H,8,18-23H2
InChIKeyVAUVLBRLRIFDQP-UHFFFAOYSA-N
XLogP6.69
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-Diphenyl-2-thiophen-2-yl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propyl]imidazol-4-one
CID 142917446
8-[3-[4-(4-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)-4-(4-fluorophenyl)-5-oxo-2-thiophen-2-ylimidazol-1-yl]propyl]-2-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 142917551
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-(1-Benzothiophen-3-yl)-2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 143475026
N-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-diphenylacetamide
CID 3627127
N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methylpropyl)-2,2-diphenylacetamide
CID 3671177
N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-diphenyl-N-prop-2-enylacetamide
CID 3907822
N-butan-2-yl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4034811
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 42710250

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one?
The IUPAC name of 3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one (CID 142917441) is 3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one.
What is the SMILES notation for 3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one?
The canonical SMILES for 3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one is O=C1N(CCCN2CCC(c3ccc(F)cc3)CC2)C(c2cccs2)=NC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one?
The InChIKey is VAUVLBRLRIFDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN3OS/c34-29-16-14-25(15-17-29)26-18-22-36(23-19-26)20-8-21-37-31(30-13-7-24-39-30)35-33(32(37)38,27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-7,9-17,24,26H,8,18-23H2.
What are the key properties of 3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one?
3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one has a molecular weight of 537.70 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5,5-diphenyl-2-thiophen-2-ylimidazol-4-one is sourced from PubChem (CID 142917441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).