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

C11H10FN3O3 — CID 163230366

IUPAC1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCc1cc(F)c(O)c(/C=N/N2CC(=O)NC2=O)c1
InChIInChI=1S/C11H10FN3O3/c1-6-2-7(10(17)8(12)3-6)4-13-15-5-9(16)14-11(15)18/h2-4,17H,5H2,1H3,(H,14,16,18)/b13-4+
InChIKeyFCMQWMGKRGTBTN-YIXHJXPBSA-N
MW251.22 g/mol
LogP0.73
Rot. Bonds2

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

1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 163230366) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione
PubChem CID163230366
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCc1cc(F)c(O)c(/C=N/N2CC(=O)NC2=O)c1
InChIInChI=1S/C11H10FN3O3/c1-6-2-7(10(17)8(12)3-6)4-13-15-5-9(16)14-11(15)18/h2-4,17H,5H2,1H3,(H,14,16,18)/b13-4+
InChIKeyFCMQWMGKRGTBTN-YIXHJXPBSA-N
XLogP0.73
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.73
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'}

Analyze 1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione 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 1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione (CID 163230366) is 1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione is Cc1cc(F)c(O)c(/C=N/N2CC(=O)NC2=O)c1.
What is the InChIKey of 1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is FCMQWMGKRGTBTN-YIXHJXPBSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-6-2-7(10(17)8(12)3-6)4-13-15-5-9(16)14-11(15)18/h2-4,17H,5H2,1H3,(H,14,16,18)/b13-4+.
What are the key properties of 1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione?
1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 251.22 g/mol, XLogP of 0.73, 2 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-methylphenyl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 163230366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).