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

C22H24N4O3 — CID 164621686

IUPAC5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)N1
InChIInChI=1S/C22H24N4O3/c27-20(11-10-19-21(28)24-22(29)23-19)26-14-12-25(13-15-26)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H2,23,24,28,29)
InChIKeyWBABAITVLVOFQL-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.99
Rot. Bonds5

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

5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione (PubChem CID 164621686) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
PubChem CID164621686
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)N1
InChIInChI=1S/C22H24N4O3/c27-20(11-10-19-21(28)24-22(29)23-19)26-14-12-25(13-15-26)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H2,23,24,28,29)
InChIKeyWBABAITVLVOFQL-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'}

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

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Related Compounds

(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 94150710
5-[3-oxo-3-(4-pyridin-3-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 70736756
5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 164610328
(3R)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 51829815
(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97114558
(5R)-5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 25355650
(5S)-5-[3-oxo-3-[(6S)-5-oxo-6-[(4-phenylphenyl)methyl]-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione
CID 92575708
(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione
CID 170509553
(5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 124976368
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370
2-[4-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 26004165
5-[3-oxo-3-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]propyl]imidazolidine-2,4-dione
CID 70776688

Frequently Asked Questions

What is the IUPAC name of 5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione (CID 164621686) is 5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)N1.
What is the InChIKey of 5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is WBABAITVLVOFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-20(11-10-19-21(28)24-22(29)23-19)26-14-12-25(13-15-26)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H2,23,24,28,29).
What are the key properties of 5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
5-[3-oxo-3-[4-(4-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-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 164621686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).