ethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one

C38H43F2N3OS — CID 142917671

IUPACethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one
SMILESCC.CCC1(c2ccccc2C)CCN(CCCN2C(=O)C(c3ccc(F)cc3)(c3ccc(F)cc3)N=C2c2cccs2)CC1
InChIInChI=1S/C36H37F2N3OS.C2H6/c1-3-35(31-9-5-4-8-26(31)2)19-23-40(24-20-35)21-7-22-41-33(32-10-6-25-43-32)39-36(34(41)42,27-11-15-29(37)16-12-27)28-13-17-30(38)18-14-28;1-2/h4-6,8-18,25H,3,7,19-24H2,1-2H3;1-2H3
InChIKeyVCFFQDAHXKMHPK-UHFFFAOYSA-N
MW627.85 g/mol
LogP8.73
Rot. Bonds9

About ethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one

ethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one (PubChem CID 142917671) has the molecular formula C38H43F2N3OS and a molecular weight of 627.85 g/mol. Its IUPAC name is ethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one.

Molecular Properties

Compound Nameethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one
PubChem CID142917671
Molecular FormulaC38H43F2N3OS
Molecular Weight627.85 g/mol
Exact Mass627.31
IUPAC Nameethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one
SMILESCC.CCC1(c2ccccc2C)CCN(CCCN2C(=O)C(c3ccc(F)cc3)(c3ccc(F)cc3)N=C2c2cccs2)CC1
InChIInChI=1S/C36H37F2N3OS.C2H6/c1-3-35(31-9-5-4-8-26(31)2)19-23-40(24-20-35)21-7-22-41-33(32-10-6-25-43-32)39-36(34(41)42,27-11-15-29(37)16-12-27)28-13-17-30(38)18-14-28;1-2/h4-6,8-18,25H,3,7,19-24H2,1-2H3;1-2H3
InChIKeyVCFFQDAHXKMHPK-UHFFFAOYSA-N
XLogP8.73
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.85
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
5,5-Bis(4-fluorophenyl)-3-(2-hydroxyethyl)-2-thiophen-2-ylimidazol-4-one
CID 142917326
5,5-Bis(4-fluorophenyl)-3-(2-hydroxypropyl)-2-thiophen-2-ylimidazol-4-one
CID 142917358
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

Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one?
The IUPAC name of 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) is ethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one.
What is the SMILES notation for ethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one?
The canonical SMILES for ethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one is CC.CCC1(c2ccccc2C)CCN(CCCN2C(=O)C(c3ccc(F)cc3)(c3ccc(F)cc3)N=C2c2cccs2)CC1.
What is the InChIKey of ethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one?
The InChIKey is VCFFQDAHXKMHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37F2N3OS.C2H6/c1-3-35(31-9-5-4-8-26(31)2)19-23-40(24-20-35)21-7-22-41-33(32-10-6-25-43-32)39-36(34(41)42,27-11-15-29(37)16-12-27)28-13-17-30(38)18-14-28;1-2/h4-6,8-18,25H,3,7,19-24H2,1-2H3;1-2H3.
What are the key properties of ethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one?
ethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one has a molecular weight of 627.85 g/mol, XLogP of 8.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]propyl]-5,5-bis(4-fluorophenyl)-2-thiophen-2-ylimidazol-4-one is sourced from PubChem (CID 142917671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).