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

C13H16FN3O3 — CID 163230417

IUPACethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCC.Cc1cc(F)c(O)c(/C=N/N2CC(=O)NC2=O)c1
InChIInChI=1S/C11H10FN3O3.C2H6/c1-6-2-7(10(17)8(12)3-6)4-13-15-5-9(16)14-11(15)18;1-2/h2-4,17H,5H2,1H3,(H,14,16,18);1-2H3/b13-4+;
InChIKeyGRNLRBRMRQJCTH-GAYQJXMFSA-N
MW281.29 g/mol
LogP1.75
Rot. Bonds2

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

ethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 163230417) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is ethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Nameethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione
PubChem CID163230417
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Nameethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCC.Cc1cc(F)c(O)c(/C=N/N2CC(=O)NC2=O)c1
InChIInChI=1S/C11H10FN3O3.C2H6/c1-6-2-7(10(17)8(12)3-6)4-13-15-5-9(16)14-11(15)18;1-2/h2-4,17H,5H2,1H3,(H,14,16,18);1-2H3/b13-4+;
InChIKeyGRNLRBRMRQJCTH-GAYQJXMFSA-N
XLogP1.75
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.75
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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Related Compounds

1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 163230366
1-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]imidazolidine-2,4-dione
CID 9351164
1-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]imidazolidine-2,4-dione
CID 9351353
1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
CID 45115386
1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione
CID 135788219
1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione
CID 71373871
5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 135659941
2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291
1-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9351065
1-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylideneamino]imidazolidine-2,4-dione
CID 85039912
[5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]-hydroxy-oxoazanium
CID 157046616
1-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]imidazolidine-2,4-dione
CID 85039913

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of ethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione (CID 163230417) is ethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for ethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for ethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione is CC.Cc1cc(F)c(O)c(/C=N/N2CC(=O)NC2=O)c1.
What is the InChIKey of ethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is GRNLRBRMRQJCTH-GAYQJXMFSA-N. The full InChI is InChI=1S/C11H10FN3O3.C2H6/c1-6-2-7(10(17)8(12)3-6)4-13-15-5-9(16)14-11(15)18;1-2/h2-4,17H,5H2,1H3,(H,14,16,18);1-2H3/b13-4+;.
What are the key properties of ethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione?
ethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 281.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 163230417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).