5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione

C18H17N3O4 — CID 19752551

IUPAC5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)N1CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H17N3O4/c22-17-16(12-14-4-2-1-3-5-14)19-18(23)20(17)11-10-13-6-8-15(9-7-13)21(24)25/h1-9,16H,10-12H2,(H,19,23)
InChIKeyXUGFSXSNNYLBPL-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.30
Rot. Bonds6

About 5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione

5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 19752551) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione
PubChem CID19752551
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)N1CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H17N3O4/c22-17-16(12-14-4-2-1-3-5-14)19-18(23)20(17)11-10-13-6-8-15(9-7-13)21(24)25/h1-9,16H,10-12H2,(H,19,23)
InChIKeyXUGFSXSNNYLBPL-UHFFFAOYSA-N
XLogP2.30
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(4-hydrazinylphenyl)methyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 10019154
(5R)-5-benzyl-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 11674231
3-[2-(2,2-difluoroethoxy)ethyl]-5-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 138047633
1-[2-(4-nitrophenyl)ethyl]pyridin-2-one
CID 116618476
5-benzyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]imidazolidine-2,4-dione
CID 5033670
(5S)-5-benzyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]imidazolidine-2,4-dione
CID 2428105
5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 10664801
4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 40812409
N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine
CID 12741863
2-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 4219465
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
CID 71826617
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione (CID 19752551) is 5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione is O=C1NC(Cc2ccccc2)C(=O)N1CCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is XUGFSXSNNYLBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-17-16(12-14-4-2-1-3-5-14)19-18(23)20(17)11-10-13-6-8-15(9-7-13)21(24)25/h1-9,16H,10-12H2,(H,19,23).
What are the key properties of 5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione?
5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 339.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 19752551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).