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

C14H19N3O3 — CID 83239066

IUPAC3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccc([N+](=O)[O-])cc2)N(CC)C1=O
InChIInChI=1S/C14H19N3O3/c1-3-5-12-14(18)16(4-2)13(15-12)10-6-8-11(9-7-10)17(19)20/h6-9,12-13,15H,3-5H2,1-2H3
InChIKeyMKWJLEIGGZMHSP-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.21
Rot. Bonds5

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

3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one (PubChem CID 83239066) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
PubChem CID83239066
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccc([N+](=O)[O-])cc2)N(CC)C1=O
InChIInChI=1S/C14H19N3O3/c1-3-5-12-14(18)16(4-2)13(15-12)10-6-8-11(9-7-10)17(19)20/h6-9,12-13,15H,3-5H2,1-2H3
InChIKeyMKWJLEIGGZMHSP-UHFFFAOYSA-N
XLogP2.21
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.21
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-methyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one
CID 83260672
3-ethyl-2-(4-fluorophenyl)-5-propylimidazolidin-4-one
CID 83239444
3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83247775
5-ethyl-3-methyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83262162
2-(3-chlorophenyl)-3-ethyl-5-propylimidazolidin-4-one
CID 83240043
5-butyl-3-ethyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83239253
3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83245143
5-methyl-2-(4-nitrophenyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 115282378
3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83248956
2-(4-chlorophenyl)-5-propyl-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 83244948
3-(2-ethoxyethyl)-2-(4-fluorophenyl)-5-propylimidazolidin-4-one
CID 83233071
3-butyl-5-ethyl-2-(3-nitrophenyl)imidazolidin-4-one
CID 83237260

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one?
The IUPAC name of 3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one (CID 83239066) is 3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one is CCCC1NC(c2ccc([N+](=O)[O-])cc2)N(CC)C1=O.
What is the InChIKey of 3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one?
The InChIKey is MKWJLEIGGZMHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-5-12-14(18)16(4-2)13(15-12)10-6-8-11(9-7-10)17(19)20/h6-9,12-13,15H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one?
3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one has a molecular weight of 277.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-nitrophenyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83239066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).