3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C23H25ClF3N3O2 — CID 68704352

IUPAC3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCC(O)CC2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClF3N3O2/c24-18-4-6-19(7-5-18)30-21(16-2-1-3-17(14-16)23(25,26)27)15-29(22(30)32)13-12-28-10-8-20(31)9-11-28/h1-7,14,20-21,31H,8-13,15H2
InChIKeyHHVOSOFGVSVHHZ-UHFFFAOYSA-N
MW467.92 g/mol
LogP4.80
Rot. Bonds5

About 3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 68704352) has the molecular formula C23H25ClF3N3O2 and a molecular weight of 467.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID68704352
Molecular FormulaC23H25ClF3N3O2
Molecular Weight467.92 g/mol
Exact Mass467.16
IUPAC Name3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCC(O)CC2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClF3N3O2/c24-18-4-6-19(7-5-18)30-21(16-2-1-3-17(14-16)23(25,26)27)15-29(22(30)32)13-12-28-10-8-20(31)9-11-28/h1-7,14,20-21,31H,8-13,15H2
InChIKeyHHVOSOFGVSVHHZ-UHFFFAOYSA-N
XLogP4.80
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.92
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68703968
3-(4-chlorophenyl)-1-[3-(3-methylpyrrolidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702907
(4S)-3-(4-chlorophenyl)-1-[3-[4-[hydroxy(methyl)amino]piperazin-1-yl]propyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 162599914
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
3-[4-(4-chlorophenoxy)phenyl]-1-(3-nitrosopropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702820
2-[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-N-propylacetamide
CID 68703664
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68705698
1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine
CID 89265398
3-[[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-1,2-oxazole-5-carboxylate
CID 154064021
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68705803
2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 59486067
tert-butyl 2-[[2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetyl]amino]acetate
CID 86645369

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 68704352) is 3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is O=C1N(CCN2CCC(O)CC2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is HHVOSOFGVSVHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF3N3O2/c24-18-4-6-19(7-5-18)30-21(16-2-1-3-17(14-16)23(25,26)27)15-29(22(30)32)13-12-28-10-8-20(31)9-11-28/h1-7,14,20-21,31H,8-13,15H2.
What are the key properties of 3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 467.92 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 68704352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).