5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one

C11H13N3O3 — CID 138389362

IUPAC5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1ccc(O)c(O)c1
InChIInChI=1S/C11H13N3O3/c1-2-14-9(10(12)13-11(14)17)6-3-4-7(15)8(16)5-6/h3-5,9,15-16H,2H2,1H3,(H2,12,13,17)
InChIKeyMIWSXSIHIGPBBL-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.16
Rot. Bonds2

About 5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one

5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one (PubChem CID 138389362) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one.

Molecular Properties

Compound Name5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one
PubChem CID138389362
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1ccc(O)c(O)c1
InChIInChI=1S/C11H13N3O3/c1-2-14-9(10(12)13-11(14)17)6-3-4-7(15)8(16)5-6/h3-5,9,15-16H,2H2,1H3,(H2,12,13,17)
InChIKeyMIWSXSIHIGPBBL-UHFFFAOYSA-N
XLogP1.16
TPSA96.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one
CID 138389994
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138390221
4-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)benzonitrile
CID 138390303
1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one
CID 138389096
1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
CID 138389849
5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one
CID 138390678
5-(4-hydroxy-3-methoxyphenyl)-4-imino-1-prop-2-ynylimidazolidin-2-one
CID 138389756
5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one
CID 138390332
1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one
CID 138388253
5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138390828
5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138390755
4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one
CID 138388758

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one?
The IUPAC name of 5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one (CID 138389362) is 5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one.
What is the SMILES notation for 5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one?
The canonical SMILES for 5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC)C1c1ccc(O)c(O)c1.
What is the InChIKey of 5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one?
The InChIKey is MIWSXSIHIGPBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-2-14-9(10(12)13-11(14)17)6-3-4-7(15)8(16)5-6/h3-5,9,15-16H,2H2,1H3,(H2,12,13,17).
What are the key properties of 5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one?
5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one has a molecular weight of 235.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydroxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one is sourced from PubChem (CID 138389362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).