5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione

C19H24Cl2N4O3 — CID 137468071

IUPAC5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCc1c(Cl)cc(Cl)cc1N1CCN(C(=O)C(C)CC2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C19H24Cl2N4O3/c1-11(10-19(3)17(27)22-18(28)23-19)16(26)25-6-4-24(5-7-25)15-9-13(20)8-14(21)12(15)2/h8-9,11H,4-7,10H2,1-3H3,(H2,22,23,27,28)
InChIKeyWQKONALRJRSIEM-UHFFFAOYSA-N
MW427.33 g/mol
LogP2.57
Rot. Bonds4

About 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione

5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 137468071) has the molecular formula C19H24Cl2N4O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID137468071
Molecular FormulaC19H24Cl2N4O3
Molecular Weight427.33 g/mol
Exact Mass426.12
IUPAC Name5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCc1c(Cl)cc(Cl)cc1N1CCN(C(=O)C(C)CC2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C19H24Cl2N4O3/c1-11(10-19(3)17(27)22-18(28)23-19)16(26)25-6-4-24(5-7-25)15-9-13(20)8-14(21)12(15)2/h8-9,11H,4-7,10H2,1-3H3,(H2,22,23,27,28)
InChIKeyWQKONALRJRSIEM-UHFFFAOYSA-N
XLogP2.57
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[4-(5-fluoro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437672
5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 137467911
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121448965
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione
CID 137467905
5-[3-[4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437982
5-[3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 137467951
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
(5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121449011
5-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121438005
(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-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopentylimidazolidine-2,4-dione
CID 121437938
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 78782075

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 137468071) is 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione is Cc1c(Cl)cc(Cl)cc1N1CCN(C(=O)C(C)CC2(C)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is WQKONALRJRSIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O3/c1-11(10-19(3)17(27)22-18(28)23-19)16(26)25-6-4-24(5-7-25)15-9-13(20)8-14(21)12(15)2/h8-9,11H,4-7,10H2,1-3H3,(H2,22,23,27,28).
What are the key properties of 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 427.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3,5-dichloro-2-methylphenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 137468071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).