5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione

C19H25ClN4O3 — CID 134368738

IUPAC5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C19H25ClN4O3/c1-13(2)19(17(26)21-18(27)22-19)7-6-16(25)24-10-8-23(9-11-24)15-5-3-4-14(20)12-15/h3-5,12-13H,6-11H2,1-2H3,(H2,21,22,26,27)
InChIKeyOXMNTQYJUROELB-UHFFFAOYSA-N
MW392.89 g/mol
LogP2.00
Rot. Bonds5

About 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione

5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 134368738) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID134368738
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)C1(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)NC(=O)NC1=O
InChIInChI=1S/C19H25ClN4O3/c1-13(2)19(17(26)21-18(27)22-19)7-6-16(25)24-10-8-23(9-11-24)15-5-3-4-14(20)12-15/h3-5,12-13H,6-11H2,1-2H3,(H2,21,22,26,27)
InChIKeyOXMNTQYJUROELB-UHFFFAOYSA-N
XLogP2.00
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.00
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-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 134368738) is 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione is CC(C)C1(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is OXMNTQYJUROELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-13(2)19(17(26)21-18(27)22-19)7-6-16(25)24-10-8-23(9-11-24)15-5-3-4-14(20)12-15/h3-5,12-13H,6-11H2,1-2H3,(H2,21,22,26,27).
What are the key properties of 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione?
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 392.89 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 134368738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).