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

C10H9N3O4 — CID 2829815

IUPAC5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione
SMILESCC1(c2cccc([N+](=O)[O-])c2)NC(=O)NC1=O
InChIInChI=1S/C10H9N3O4/c1-10(8(14)11-9(15)12-10)6-3-2-4-7(5-6)13(16)17/h2-5H,1H3,(H2,11,12,14,15)
InChIKeyFFMGTDIPZUOEEB-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.65
Rot. Bonds2

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

5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione (PubChem CID 2829815) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione
PubChem CID2829815
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione
SMILESCC1(c2cccc([N+](=O)[O-])c2)NC(=O)NC1=O
InChIInChI=1S/C10H9N3O4/c1-10(8(14)11-9(15)12-10)6-3-2-4-7(5-6)13(16)17/h2-5H,1H3,(H2,11,12,14,15)
InChIKeyFFMGTDIPZUOEEB-UHFFFAOYSA-N
XLogP0.65
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.65
H-Bond Donors ≤ 52
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-Methyl-5-(4-nitro-phenyl)-imidazolidine-2,4-dione
CID 3119445
3-(2-(Dimethylamino)ethyl)-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 3095535
(5S)-5-Methyl-3-(4-nitroanilino)-5-phenylimidazolidine-2,4-dione
CID 139596203
3-[(4-Nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622540
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 5134575
3-[(3-Nitrophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2710891
5-Methyl-3-[(4-nitrophenyl)methyl]-5-phenyl-2,4-imidazolidinedione
CID 15945130
3-(3-Nitrophenyl)-2,5-pyrrolidinedione
CID 3050262
5-(3-Aminophenyl)-5-methylimidazolidine-2,4-dione
CID 42948959
5-(4-Aminophenyl)-5-methylimidazolidine-2,4-dione
CID 315355
5'-Nitrospiro[imidazolidine-5,1'-tetralin]-2,4-dione
CID 328038
Sdccgsbi-0661985.P001
CID 2373546

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione (CID 2829815) is 5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione is CC1(c2cccc([N+](=O)[O-])c2)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione?
The InChIKey is FFMGTDIPZUOEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-10(8(14)11-9(15)12-10)6-3-2-4-7(5-6)13(16)17/h2-5H,1H3,(H2,11,12,14,15).
What are the key properties of 5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione?
5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione has a molecular weight of 235.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2829815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).