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

C33H33N3OS — CID 91271284

IUPAC5,5-diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one
SMILESO=C1N(CCCN2CCC(c3ccccc3)CC2)C(c2cccs2)=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H33N3OS/c37-32-33(28-14-6-2-7-15-28,29-16-8-3-9-17-29)34-31(30-18-10-25-38-30)36(32)22-11-21-35-23-19-27(20-24-35)26-12-4-1-5-13-26/h1-10,12-18,25,27H,11,19-24H2
InChIKeyMDIKGCMXKDBXES-UHFFFAOYSA-N
MW519.71 g/mol
LogP6.55
Rot. Bonds8

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

5,5-diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one (PubChem CID 91271284) has the molecular formula C33H33N3OS and a molecular weight of 519.71 g/mol. Its IUPAC name is 5,5-diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one.

Molecular Properties

Compound Name5,5-diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one
PubChem CID91271284
Molecular FormulaC33H33N3OS
Molecular Weight519.71 g/mol
Exact Mass519.23
IUPAC Name5,5-diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one
SMILESO=C1N(CCCN2CCC(c3ccccc3)CC2)C(c2cccs2)=NC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H33N3OS/c37-32-33(28-14-6-2-7-15-28,29-16-8-3-9-17-29)34-31(30-18-10-25-38-30)36(32)22-11-21-35-23-19-27(20-24-35)26-12-4-1-5-13-26/h1-10,12-18,25,27H,11,19-24H2
InChIKeyMDIKGCMXKDBXES-UHFFFAOYSA-N
XLogP6.55
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.71
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-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
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 42710250
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
2-Amino-5-cyclohexyl-5-phenyl-3-(thiophen-2-ylmethyl)imidazol-4-one
CID 16051132

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one?
The IUPAC name of 5,5-diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one (CID 91271284) is 5,5-diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one.
What is the SMILES notation for 5,5-diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one?
The canonical SMILES for 5,5-diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one is O=C1N(CCCN2CCC(c3ccccc3)CC2)C(c2cccs2)=NC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 5,5-diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one?
The InChIKey is MDIKGCMXKDBXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3OS/c37-32-33(28-14-6-2-7-15-28,29-16-8-3-9-17-29)34-31(30-18-10-25-38-30)36(32)22-11-21-35-23-19-27(20-24-35)26-12-4-1-5-13-26/h1-10,12-18,25,27H,11,19-24H2.
What are the key properties of 5,5-diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one?
5,5-diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one has a molecular weight of 519.71 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]-2-thiophen-2-ylimidazol-4-one is sourced from PubChem (CID 91271284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).