5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione

C22H24N4O3 — CID 164622905

IUPAC5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(-c4ccccc4)c3)CC2)N1
InChIInChI=1S/C22H24N4O3/c27-20(10-9-19-21(28)24-22(29)23-19)26-13-11-25(12-14-26)18-8-4-7-17(15-18)16-5-2-1-3-6-16/h1-8,15,19H,9-14H2,(H2,23,24,28,29)
InChIKeyWZYGFNUYHKPOCL-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.99
Rot. Bonds5

About 5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione

5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione (PubChem CID 164622905) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
PubChem CID164622905
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(-c4ccccc4)c3)CC2)N1
InChIInChI=1S/C22H24N4O3/c27-20(10-9-19-21(28)24-22(29)23-19)26-13-11-25(12-14-26)18-8-4-7-17(15-18)16-5-2-1-3-6-16/h1-8,15,19H,9-14H2,(H2,23,24,28,29)
InChIKeyWZYGFNUYHKPOCL-UHFFFAOYSA-N
XLogP1.99
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.99
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-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione (CID 164622905) is 5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(-c4ccccc4)c3)CC2)N1.
What is the InChIKey of 5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is WZYGFNUYHKPOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-20(10-9-19-21(28)24-22(29)23-19)26-13-11-25(12-14-26)18-8-4-7-17(15-18)16-5-2-1-3-6-16/h1-8,15,19H,9-14H2,(H2,23,24,28,29).
What are the key properties of 5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 392.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-oxo-3-[4-(3-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 164622905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).