3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one

C13H17N3O3 — CID 83260672

IUPAC3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccc([N+](=O)[O-])cc2)N(C)C1=O
InChIInChI=1S/C13H17N3O3/c1-3-4-11-13(17)15(2)12(14-11)9-5-7-10(8-6-9)16(18)19/h5-8,11-12,14H,3-4H2,1-2H3
InChIKeyQEGFITUEPIAJSD-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.82
Rot. Bonds4

About 3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one

3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one (PubChem CID 83260672) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
PubChem CID83260672
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccc([N+](=O)[O-])cc2)N(C)C1=O
InChIInChI=1S/C13H17N3O3/c1-3-4-11-13(17)15(2)12(14-11)9-5-7-10(8-6-9)16(18)19/h5-8,11-12,14H,3-4H2,1-2H3
InChIKeyQEGFITUEPIAJSD-UHFFFAOYSA-N
XLogP1.82
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.82
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

5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83262162
3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
CID 83239066
3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83245143
3-methyl-5-propyl-2-[4-(trifluoromethoxy)phenyl]imidazolidin-4-one
CID 83267718
3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83248956
3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83247775
3-ethyl-2-(4-fluorophenyl)-5-propylimidazolidin-4-one
CID 83239444
3-cyclopropyl-2-(4-ethylphenyl)-5-propylimidazolidin-4-one
CID 83242888
5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 115282378
3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propylimidazolidin-4-one
CID 83233071
5-butyl-2-(3-chlorophenyl)-3-methylimidazolidin-4-one
CID 83261728
2-ethyl-3-methyl-5-propylimidazolidin-4-one
CID 83261092

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one?
The IUPAC name of 3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one (CID 83260672) is 3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one is CCCC1NC(c2ccc([N+](=O)[O-])cc2)N(C)C1=O.
What is the InChIKey of 3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one?
The InChIKey is QEGFITUEPIAJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-4-11-13(17)15(2)12(14-11)9-5-7-10(8-6-9)16(18)19/h5-8,11-12,14H,3-4H2,1-2H3.
What are the key properties of 3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one?
3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one has a molecular weight of 263.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83260672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).