5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one

C13H17N3O3 — CID 138389446

IUPAC5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1ccc(OC)cc1OC
InChIInChI=1S/C13H17N3O3/c1-4-16-11(12(14)15-13(16)17)9-6-5-8(18-2)7-10(9)19-3/h5-7,11H,4H2,1-3H3,(H2,14,15,17)
InChIKeyFLQUWKFVKGFFCL-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.77
Rot. Bonds4

About 5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one

5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one (PubChem CID 138389446) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one
PubChem CID138389446
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1ccc(OC)cc1OC
InChIInChI=1S/C13H17N3O3/c1-4-16-11(12(14)15-13(16)17)9-6-5-8(18-2)7-10(9)19-3/h5-7,11H,4H2,1-3H3,(H2,14,15,17)
InChIKeyFLQUWKFVKGFFCL-UHFFFAOYSA-N
XLogP1.77
TPSA74.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one
CID 138388253
4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one
CID 138388367
1-ethyl-4-imino-5-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 138390155
5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138390828
5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one
CID 138390678
5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138389362
5-(1-benzothiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138390230
1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one
CID 138389096
4-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)benzonitrile
CID 138390303
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138390221
(2S)-3-acetyl-1-butyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 7008302
5-(2-bromo-4-methylphenyl)-4-imino-1-propylimidazolidin-2-one
CID 138391346

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one (CID 138389446) is 5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC)C1c1ccc(OC)cc1OC.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one?
The InChIKey is FLQUWKFVKGFFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-4-16-11(12(14)15-13(16)17)9-6-5-8(18-2)7-10(9)19-3/h5-7,11H,4H2,1-3H3,(H2,14,15,17).
What are the key properties of 5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one?
5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one has a molecular weight of 263.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one is sourced from PubChem (CID 138389446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).