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

C19H26ClN5O3 — CID 121437696

IUPAC5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-2,4-dione
SMILESCN(C)CC1(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C19H26ClN5O3/c1-23(2)13-19(17(27)21-18(28)22-19)7-6-16(26)25-10-8-24(9-11-25)15-5-3-4-14(20)12-15/h3-5,12H,6-11,13H2,1-2H3,(H2,21,22,27,28)
InChIKeyYCBMFALTBSONHM-UHFFFAOYSA-N
MW407.90 g/mol
LogP0.91
Rot. Bonds6

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

5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-2,4-dione (PubChem CID 121437696) has the molecular formula C19H26ClN5O3 and a molecular weight of 407.90 g/mol. Its IUPAC name is 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-2,4-dione
PubChem CID121437696
Molecular FormulaC19H26ClN5O3
Molecular Weight407.90 g/mol
Exact Mass407.17
IUPAC Name5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-2,4-dione
SMILESCN(C)CC1(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C19H26ClN5O3/c1-23(2)13-19(17(27)21-18(28)22-19)7-6-16(26)25-10-8-24(9-11-25)15-5-3-4-14(20)12-15/h3-5,12H,6-11,13H2,1-2H3,(H2,21,22,27,28)
InChIKeyYCBMFALTBSONHM-UHFFFAOYSA-N
XLogP0.91
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-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

8-[(2,6-Dichlorophenyl)methyl]-3-[2-(methylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190599
8-[(2,6-Dichlorophenyl)methyl]-3-[2-(ethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190600
(3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide
CID 139267761
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
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-[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-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 121437858
5-[3-[4-(3,5-Dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437888

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-2,4-dione (CID 121437696) is 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-2,4-dione is CN(C)CC1(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-2,4-dione?
The InChIKey is YCBMFALTBSONHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O3/c1-23(2)13-19(17(27)21-18(28)22-19)7-6-16(26)25-10-8-24(9-11-25)15-5-3-4-14(20)12-15/h3-5,12H,6-11,13H2,1-2H3,(H2,21,22,27,28).
What are the key properties of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-2,4-dione?
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-2,4-dione has a molecular weight of 407.90 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[(dimethylamino)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121437696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).