5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione

C11H11N3O4 — CID 3054222

IUPAC5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C11H11N3O4/c1-11(2)9(15)13(10(16)12-11)7-3-5-8(6-4-7)14(17)18/h3-6H,1-2H3,(H,12,16)
InChIKeyIMXPYWYBIKKZRU-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.43
Rot. Bonds2

About 5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione

5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 3054222) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione
PubChem CID3054222
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O
InChIInChI=1S/C11H11N3O4/c1-11(2)9(15)13(10(16)12-11)7-3-5-8(6-4-7)14(17)18/h3-6H,1-2H3,(H,12,16)
InChIKeyIMXPYWYBIKKZRU-UHFFFAOYSA-N
XLogP1.43
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.43
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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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione (CID 3054222) is 5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione is CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is IMXPYWYBIKKZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-11(2)9(15)13(10(16)12-11)7-3-5-8(6-4-7)14(17)18/h3-6H,1-2H3,(H,12,16).
What are the key properties of 5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione?
5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 249.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 3054222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).