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

C15H19N3O3 — CID 83248956

IUPAC3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc([N+](=O)[O-])cc2)N(C2CCC2)C1=O
InChIInChI=1S/C15H19N3O3/c1-2-13-15(19)17(11-4-3-5-11)14(16-13)10-6-8-12(9-7-10)18(20)21/h6-9,11,13-14,16H,2-5H2,1H3
InChIKeyMYZPQVHPAVGZLE-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.36
Rot. Bonds4

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

3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one (PubChem CID 83248956) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
PubChem CID83248956
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc([N+](=O)[O-])cc2)N(C2CCC2)C1=O
InChIInChI=1S/C15H19N3O3/c1-2-13-15(19)17(11-4-3-5-11)14(16-13)10-6-8-12(9-7-10)18(20)21/h6-9,11,13-14,16H,2-5H2,1H3
InChIKeyMYZPQVHPAVGZLE-UHFFFAOYSA-N
XLogP2.36
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.36
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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Related Compounds

3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83245143
5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83262162
3-cyclopentyl-5-ethyl-2-(4-fluorophenyl)imidazolidin-4-one
CID 83242494
3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83247775
3-cyclobutyl-2-(3,4-difluorophenyl)-5-ethylimidazolidin-4-one
CID 83254392
5-methyl-2-(4-nitrophenyl)-3-(oxolan-3-yl)imidazolidin-4-one
CID 83267221
3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
CID 83260672
5-ethyl-2-(4-methylphenyl)-3-(oxan-3-yl)imidazolidin-4-one
CID 83263894
5-ethyl-3-(1-methylpiperidin-3-yl)-2-phenylimidazolidin-4-one
CID 83247325
3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
CID 83239066
5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
CID 83252752
2-(4-chlorophenyl)-3-cyclobutyl-5-methylimidazolidin-4-one
CID 83254897

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one?
The IUPAC name of 3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one (CID 83248956) is 3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one?
The canonical SMILES for 3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one is CCC1NC(c2ccc([N+](=O)[O-])cc2)N(C2CCC2)C1=O.
What is the InChIKey of 3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one?
The InChIKey is MYZPQVHPAVGZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-13-15(19)17(11-4-3-5-11)14(16-13)10-6-8-12(9-7-10)18(20)21/h6-9,11,13-14,16H,2-5H2,1H3.
What are the key properties of 3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one?
3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one has a molecular weight of 289.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one is sourced from PubChem (CID 83248956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).