(5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione

C12H10I2N2O3 — CID 126175612

IUPAC(5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2cc(I)cc(I)c2O)C1=O
InChIInChI=1S/C12H10I2N2O3/c1-2-16-11(18)9(15-12(16)19)4-6-3-7(13)5-8(14)10(6)17/h3-5,17H,2H2,1H3,(H,15,19)/b9-4+
InChIKeyXNGGMGALIZSMLM-RUDMXATFSA-N
MW484.03 g/mol
LogP2.51
Rot. Bonds2

About (5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione

(5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126175612) has the molecular formula C12H10I2N2O3 and a molecular weight of 484.03 g/mol. Its IUPAC name is (5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID126175612
Molecular FormulaC12H10I2N2O3
Molecular Weight484.03 g/mol
Exact Mass483.88
IUPAC Name(5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2cc(I)cc(I)c2O)C1=O
InChIInChI=1S/C12H10I2N2O3/c1-2-16-11(18)9(15-12(16)19)4-6-3-7(13)5-8(14)10(6)17/h3-5,17H,2H2,1H3,(H,15,19)/b9-4+
InChIKeyXNGGMGALIZSMLM-RUDMXATFSA-N
XLogP2.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.03
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-[(2-fluorophenyl)methyl]-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione
CID 126108818
(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126251195
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 21230388
(5E)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126243745
(5E)-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
CID 126228919
(5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126201992
(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126554488
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126246821
3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 131856720
(5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 45095770
(5E)-5-[(2-bromophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126233258
(5E)-3-ethyl-5-[(2,4,6-trimethylphenyl)methylidene]imidazolidine-2,4-dione
CID 126256878

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione (CID 126175612) is (5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione is CCN1C(=O)N/C(=C/c2cc(I)cc(I)c2O)C1=O.
What is the InChIKey of (5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is XNGGMGALIZSMLM-RUDMXATFSA-N. The full InChI is InChI=1S/C12H10I2N2O3/c1-2-16-11(18)9(15-12(16)19)4-6-3-7(13)5-8(14)10(6)17/h3-5,17H,2H2,1H3,(H,15,19)/b9-4+.
What are the key properties of (5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione?
(5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 484.03 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126175612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).