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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).