5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one

C22H24ClFN4O3 — CID 166781058

IUPAC5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one
SMILESO=C(CCC1(c2ccccc2)NC(O)NC1=O)N1CCN(c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C22H24ClFN4O3/c23-17-7-6-16(14-18(17)24)27-10-12-28(13-11-27)19(29)8-9-22(15-4-2-1-3-5-15)20(30)25-21(31)26-22/h1-7,14,21,26,31H,8-13H2,(H,25,30)
InChIKeyXXSUUTWBJSPEKL-UHFFFAOYSA-N
MW446.91 g/mol
LogP1.80
Rot. Bonds5

About 5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one

5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one (PubChem CID 166781058) has the molecular formula C22H24ClFN4O3 and a molecular weight of 446.91 g/mol. Its IUPAC name is 5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one
PubChem CID166781058
Molecular FormulaC22H24ClFN4O3
Molecular Weight446.91 g/mol
Exact Mass446.15
IUPAC Name5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one
SMILESO=C(CCC1(c2ccccc2)NC(O)NC1=O)N1CCN(c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C22H24ClFN4O3/c23-17-7-6-16(14-18(17)24)27-10-12-28(13-11-27)19(29)8-9-22(15-4-2-1-3-5-15)20(30)25-21(31)26-22/h1-7,14,21,26,31H,8-13H2,(H,25,30)
InChIKeyXXSUUTWBJSPEKL-UHFFFAOYSA-N
XLogP1.80
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.91
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-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

5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylpyrrolidine-2,4-dione
CID 157376376
5-(4-chlorophenyl)-5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437904
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(4-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 137468170
5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677215
2-[4-[3-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dioxoimidazolidin-4-yl]acetic acid;ethane
CID 145108957
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[4-[(dimethylamino)methyl]phenyl]imidazolidine-2,4-dione
CID 121437807
5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 121437598
5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677250
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 4167422
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylpyrrolidine-2,4-dione
CID 159160080
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one?
The IUPAC name of 5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one (CID 166781058) is 5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one.
What is the SMILES notation for 5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one?
The canonical SMILES for 5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one is O=C(CCC1(c2ccccc2)NC(O)NC1=O)N1CCN(c2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one?
The InChIKey is XXSUUTWBJSPEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O3/c23-17-7-6-16(14-18(17)24)27-10-12-28(13-11-27)19(29)8-9-22(15-4-2-1-3-5-15)20(30)25-21(31)26-22/h1-7,14,21,26,31H,8-13H2,(H,25,30).
What are the key properties of 5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one?
5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one has a molecular weight of 446.91 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-chloro-3-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-hydroxy-5-phenylimidazolidin-4-one is sourced from PubChem (CID 166781058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).