5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione

C19H23ClN4O3 — CID 121437858

IUPAC5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(C2CC2)N1
InChIInChI=1S/C19H23ClN4O3/c20-14-2-1-3-15(12-14)23-8-10-24(11-9-23)16(25)6-7-19(13-4-5-13)17(26)21-18(27)22-19/h1-3,12-13H,4-11H2,(H2,21,22,26,27)
InChIKeySZEOXTMGYZKQHV-UHFFFAOYSA-N
MW390.87 g/mol
LogP1.76
Rot. Bonds5

About 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione

5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione (PubChem CID 121437858) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
PubChem CID121437858
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(C2CC2)N1
InChIInChI=1S/C19H23ClN4O3/c20-14-2-1-3-15(12-14)23-8-10-24(11-9-23)16(25)6-7-19(13-4-5-13)17(26)21-18(27)22-19/h1-3,12-13H,4-11H2,(H2,21,22,26,27)
InChIKeySZEOXTMGYZKQHV-UHFFFAOYSA-N
XLogP1.76
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione 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

Aldumastat
CID 121448788
3-(3-Chlorophenyl)-1,3-diazaspiro(4.5)decane-2,4-dione
CID 935328
N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4779526
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437569
(5S)-5-cyclopropyl-5-[(2S)-3-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
CID 121437667
5-Cyclopropyl-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437693
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclobutylimidazolidine-2,4-dione
CID 121437752
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 121437768
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437773
5-[3-[4-(3,5-Dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437795
(5R)-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437821
5-cyclopropyl-5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437894

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione (CID 121437858) is 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(C2CC2)N1.
What is the InChIKey of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
The InChIKey is SZEOXTMGYZKQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c20-14-2-1-3-15(12-14)23-8-10-24(11-9-23)16(25)6-7-19(13-4-5-13)17(26)21-18(27)22-19/h1-3,12-13H,4-11H2,(H2,21,22,26,27).
What are the key properties of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione?
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione has a molecular weight of 390.87 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 121437858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).