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

C21H28Cl2N4O5 — CID 137467905

IUPAC5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione
SMILESCOCCOCC1(CC(C)C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C21H28Cl2N4O5/c1-14(12-21(13-32-8-7-31-2)19(29)24-20(30)25-21)18(28)27-5-3-26(4-6-27)17-10-15(22)9-16(23)11-17/h9-11,14H,3-8,12-13H2,1-2H3,(H2,24,25,29,30)
InChIKeyVHBXEIWZZYXPHF-UHFFFAOYSA-N
MW487.38 g/mol
LogP1.91
Rot. Bonds9

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

5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione (PubChem CID 137467905) has the molecular formula C21H28Cl2N4O5 and a molecular weight of 487.38 g/mol. Its IUPAC name is 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione
PubChem CID137467905
Molecular FormulaC21H28Cl2N4O5
Molecular Weight487.38 g/mol
Exact Mass486.14
IUPAC Name5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione
SMILESCOCCOCC1(CC(C)C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C21H28Cl2N4O5/c1-14(12-21(13-32-8-7-31-2)19(29)24-20(30)25-21)18(28)27-5-3-26(4-6-27)17-10-15(22)9-16(23)11-17/h9-11,14H,3-8,12-13H2,1-2H3,(H2,24,25,29,30)
InChIKeyVHBXEIWZZYXPHF-UHFFFAOYSA-N
XLogP1.91
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[[4-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2,5-dioxoimidazolidin-4-yl]methyl]piperidine-1-carboxylate
CID 121437721
5-[3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(phenylmethoxymethyl)imidazolidine-2,4-dione
CID 140908344
(5S)-5-[(2S)-3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione
CID 121438010
5-(aminomethyl)-5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437901
3-[4-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 174993219
5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one
CID 137468095
5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 137468071
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121448965
5-[3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 137467951
(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfanylethyl)pyrrolidine-2,4-dione;(5R)-5-[(2R)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione;(5S)-5-[(2S)-3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methylsulfonylethyl)pyrrolidine-2,4-dione
CID 159314507
5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 137467911
N-[[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide
CID 166781157

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione (CID 137467905) is 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione is COCCOCC1(CC(C)C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione?
The InChIKey is VHBXEIWZZYXPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28Cl2N4O5/c1-14(12-21(13-32-8-7-31-2)19(29)24-20(30)25-21)18(28)27-5-3-26(4-6-27)17-10-15(22)9-16(23)11-17/h9-11,14H,3-8,12-13H2,1-2H3,(H2,24,25,29,30).
What are the key properties of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione?
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione has a molecular weight of 487.38 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 137467905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).