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

C18H22Cl2N4O3 — CID 121437795

IUPAC5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H22Cl2N4O3/c1-11(10-18(2)16(26)21-17(27)22-18)15(25)24-5-3-23(4-6-24)14-8-12(19)7-13(20)9-14/h7-9,11H,3-6,10H2,1-2H3,(H2,21,22,26,27)
InChIKeyKTSVBNSBXWVDTE-UHFFFAOYSA-N
MW413.31 g/mol
LogP2.27
Rot. Bonds4

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

5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 121437795) has the molecular formula C18H22Cl2N4O3 and a molecular weight of 413.31 g/mol. Its IUPAC name is 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID121437795
Molecular FormulaC18H22Cl2N4O3
Molecular Weight413.31 g/mol
Exact Mass412.11
IUPAC Name5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H22Cl2N4O3/c1-11(10-18(2)16(26)21-17(27)22-18)15(25)24-5-3-23(4-6-24)14-8-12(19)7-13(20)9-14/h7-9,11H,3-6,10H2,1-2H3,(H2,21,22,26,27)
InChIKeyKTSVBNSBXWVDTE-UHFFFAOYSA-N
XLogP2.27
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 52.27
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)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 121437795) is 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione is CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is KTSVBNSBXWVDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O3/c1-11(10-18(2)16(26)21-17(27)22-18)15(25)24-5-3-23(4-6-24)14-8-12(19)7-13(20)9-14/h7-9,11H,3-6,10H2,1-2H3,(H2,21,22,26,27).
What are the key properties of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 413.31 g/mol, XLogP of 2.27, 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)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121437795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).