3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione

C12H13N3O3 — CID 139179083

IUPAC3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(/N=C/c2ccccc2O)C1=O
InChIInChI=1S/C12H13N3O3/c1-12(2)10(17)15(11(18)14-12)13-7-8-5-3-4-6-9(8)16/h3-7,16H,1-2H3,(H,14,18)/b13-7+
InChIKeyFSCOIGGONHTHDF-NTUHNPAUSA-N
MW247.25 g/mol
LogP1.06
Rot. Bonds2

About 3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione

3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 139179083) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID139179083
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(/N=C/c2ccccc2O)C1=O
InChIInChI=1S/C12H13N3O3/c1-12(2)10(17)15(11(18)14-12)13-7-8-5-3-4-6-9(8)16/h3-7,16H,1-2H3,(H,14,18)/b13-7+
InChIKeyFSCOIGGONHTHDF-NTUHNPAUSA-N
XLogP1.06
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.06
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 3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-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 3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione (CID 139179083) is 3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(/N=C/c2ccccc2O)C1=O.
What is the InChIKey of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is FSCOIGGONHTHDF-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-12(2)10(17)15(11(18)14-12)13-7-8-5-3-4-6-9(8)16/h3-7,16H,1-2H3,(H,14,18)/b13-7+.
What are the key properties of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione?
3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 247.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 139179083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).