5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione

C20H26Cl2N4O3 — CID 137467911

IUPAC5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCC(CC1(C)NC(=O)NC1=O)C(=O)N1CC(C)N(c2cc(Cl)cc(Cl)c2)C(C)C1
InChIInChI=1S/C20H26Cl2N4O3/c1-11(8-20(4)18(28)23-19(29)24-20)17(27)25-9-12(2)26(13(3)10-25)16-6-14(21)5-15(22)7-16/h5-7,11-13H,8-10H2,1-4H3,(H2,23,24,28,29)
InChIKeyHEQAEDCPPOIZGH-UHFFFAOYSA-N
MW441.36 g/mol
LogP3.04
Rot. Bonds4

About 5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione

5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 137467911) has the molecular formula C20H26Cl2N4O3 and a molecular weight of 441.36 g/mol. Its IUPAC name is 5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID137467911
Molecular FormulaC20H26Cl2N4O3
Molecular Weight441.36 g/mol
Exact Mass440.14
IUPAC Name5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCC(CC1(C)NC(=O)NC1=O)C(=O)N1CC(C)N(c2cc(Cl)cc(Cl)c2)C(C)C1
InChIInChI=1S/C20H26Cl2N4O3/c1-11(8-20(4)18(28)23-19(29)24-20)17(27)25-9-12(2)26(13(3)10-25)16-6-14(21)5-15(22)7-16/h5-7,11-13H,8-10H2,1-4H3,(H2,23,24,28,29)
InChIKeyHEQAEDCPPOIZGH-UHFFFAOYSA-N
XLogP3.04
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 137467911) is 5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione is CC(CC1(C)NC(=O)NC1=O)C(=O)N1CC(C)N(c2cc(Cl)cc(Cl)c2)C(C)C1.
What is the InChIKey of 5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is HEQAEDCPPOIZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N4O3/c1-11(8-20(4)18(28)23-19(29)24-20)17(27)25-9-12(2)26(13(3)10-25)16-6-14(21)5-15(22)7-16/h5-7,11-13H,8-10H2,1-4H3,(H2,23,24,28,29).
What are the key properties of 5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
5-[3-[4-(3,5-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 441.36 g/mol, XLogP of 3.04, 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-dichlorophenyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 137467911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).