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

C19H24Cl2N4O4 — CID 121437888

IUPAC5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCOCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H24Cl2N4O4/c1-19(17(27)22-18(28)23-19)10-12(11-29-2)16(26)25-5-3-24(4-6-25)15-8-13(20)7-14(21)9-15/h7-9,12H,3-6,10-11H2,1-2H3,(H2,22,23,27,28)
InChIKeyOBQNFIXICFYDBT-UHFFFAOYSA-N
MW443.33 g/mol
LogP1.89
Rot. Bonds6

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

5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 121437888) has the molecular formula C19H24Cl2N4O4 and a molecular weight of 443.33 g/mol. Its IUPAC name is 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID121437888
Molecular FormulaC19H24Cl2N4O4
Molecular Weight443.33 g/mol
Exact Mass442.12
IUPAC Name5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCOCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H24Cl2N4O4/c1-19(17(27)22-18(28)23-19)10-12(11-29-2)16(26)25-5-3-24(4-6-25)15-8-13(20)7-14(21)9-15/h7-9,12H,3-6,10-11H2,1-2H3,(H2,22,23,27,28)
InChIKeyOBQNFIXICFYDBT-UHFFFAOYSA-N
XLogP1.89
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 121437888) is 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione is COCC(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-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is OBQNFIXICFYDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O4/c1-19(17(27)22-18(28)23-19)10-12(11-29-2)16(26)25-5-3-24(4-6-25)15-8-13(20)7-14(21)9-15/h7-9,12H,3-6,10-11H2,1-2H3,(H2,22,23,27,28).
What are the key properties of 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 443.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121437888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).