(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one

C13H13F2N3O2 — CID 141330603

IUPAC(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one
SMILESCC/N=C1\NC(=O)/C(=C/c2ccc(C(F)F)c(O)c2)N1
InChIInChI=1S/C13H13F2N3O2/c1-2-16-13-17-9(12(20)18-13)5-7-3-4-8(11(14)15)10(19)6-7/h3-6,11,19H,2H2,1H3,(H2,16,17,18,20)/b9-5-
InChIKeyFVXYHKWYADVTHR-UITAMQMPSA-N
MW281.26 g/mol
LogP1.77
Rot. Bonds3

About (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one

(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one (PubChem CID 141330603) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one
PubChem CID141330603
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one
SMILESCC/N=C1\NC(=O)/C(=C/c2ccc(C(F)F)c(O)c2)N1
InChIInChI=1S/C13H13F2N3O2/c1-2-16-13-17-9(12(20)18-13)5-7-3-4-8(11(14)15)10(19)6-7/h3-6,11,19H,2H2,1H3,(H2,16,17,18,20)/b9-5-
InChIKeyFVXYHKWYADVTHR-UITAMQMPSA-N
XLogP1.77
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-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 (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one (CID 141330603) is (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one is CC/N=C1\NC(=O)/C(=C/c2ccc(C(F)F)c(O)c2)N1.
What is the InChIKey of (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one?
The InChIKey is FVXYHKWYADVTHR-UITAMQMPSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-2-16-13-17-9(12(20)18-13)5-7-3-4-8(11(14)15)10(19)6-7/h3-6,11,19H,2H2,1H3,(H2,16,17,18,20)/b9-5-.
What are the key properties of (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one?
(5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one has a molecular weight of 281.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(difluoromethyl)-3-hydroxyphenyl]methylidene]-2-ethyliminoimidazolidin-4-one is sourced from PubChem (CID 141330603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).