5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one

C12H15N3O3 — CID 83262162

IUPAC5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc([N+](=O)[O-])cc2)N(C)C1=O
InChIInChI=1S/C12H15N3O3/c1-3-10-12(16)14(2)11(13-10)8-4-6-9(7-5-8)15(17)18/h4-7,10-11,13H,3H2,1-2H3
InChIKeyTWDIVRLFJXNGKV-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.43
Rot. Bonds3

About 5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one

5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one (PubChem CID 83262162) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one
PubChem CID83262162
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc([N+](=O)[O-])cc2)N(C)C1=O
InChIInChI=1S/C12H15N3O3/c1-3-10-12(16)14(2)11(13-10)8-4-6-9(7-5-8)15(17)18/h4-7,10-11,13H,3H2,1-2H3
InChIKeyTWDIVRLFJXNGKV-UHFFFAOYSA-N
XLogP1.43
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one (CID 83262162) is 5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one is CCC1NC(c2ccc([N+](=O)[O-])cc2)N(C)C1=O.
What is the InChIKey of 5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one?
The InChIKey is TWDIVRLFJXNGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-10-12(16)14(2)11(13-10)8-4-6-9(7-5-8)15(17)18/h4-7,10-11,13H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one?
5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one has a molecular weight of 249.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one is sourced from PubChem (CID 83262162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).