1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione

C13H14FN3O3 — CID 170688060

IUPAC1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCC(C)c1cc(F)c(O)c(/C=N/N2CC(=O)NC2=O)c1
InChIInChI=1S/C13H14FN3O3/c1-7(2)8-3-9(12(19)10(14)4-8)5-15-17-6-11(18)16-13(17)20/h3-5,7,19H,6H2,1-2H3,(H,16,18,20)/b15-5+
InChIKeyXOMNDUGLVPMQSC-PJQLUOCWSA-N
MW279.27 g/mol
LogP1.54
Rot. Bonds3

About 1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione

1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 170688060) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione
PubChem CID170688060
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCC(C)c1cc(F)c(O)c(/C=N/N2CC(=O)NC2=O)c1
InChIInChI=1S/C13H14FN3O3/c1-7(2)8-3-9(12(19)10(14)4-8)5-15-17-6-11(18)16-13(17)20/h3-5,7,19H,6H2,1-2H3,(H,16,18,20)/b15-5+
InChIKeyXOMNDUGLVPMQSC-PJQLUOCWSA-N
XLogP1.54
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione (CID 170688060) is 1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione is CC(C)c1cc(F)c(O)c(/C=N/N2CC(=O)NC2=O)c1.
What is the InChIKey of 1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is XOMNDUGLVPMQSC-PJQLUOCWSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-7(2)8-3-9(12(19)10(14)4-8)5-15-17-6-11(18)16-13(17)20/h3-5,7,19H,6H2,1-2H3,(H,16,18,20)/b15-5+.
What are the key properties of 1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione?
1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 279.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 170688060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).