(5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione

C11H8ClIN2O3 — CID 126201992

IUPAC(5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C/c2cc(Cl)cc(I)c2O)C1=O
InChIInChI=1S/C11H8ClIN2O3/c1-15-10(17)8(14-11(15)18)3-5-2-6(12)4-7(13)9(5)16/h2-4,16H,1H3,(H,14,18)/b8-3+
InChIKeyVXFURTYFBZOLTI-FPYGCLRLSA-N
MW378.55 g/mol
LogP2.17
Rot. Bonds1

About (5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione

(5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione (PubChem CID 126201992) has the molecular formula C11H8ClIN2O3 and a molecular weight of 378.55 g/mol. Its IUPAC name is (5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione
PubChem CID126201992
Molecular FormulaC11H8ClIN2O3
Molecular Weight378.55 g/mol
Exact Mass377.93
IUPAC Name(5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C/c2cc(Cl)cc(I)c2O)C1=O
InChIInChI=1S/C11H8ClIN2O3/c1-15-10(17)8(14-11(15)18)3-5-2-6(12)4-7(13)9(5)16/h2-4,16H,1H3,(H,14,18)/b8-3+
InChIKeyVXFURTYFBZOLTI-FPYGCLRLSA-N
XLogP2.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 52.17
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-ethyl-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]imidazolidine-2,4-dione
CID 126175612
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126246821
(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 19374978
(5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126198714
(5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126146104
2-[(5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 126151062
5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 884257
methyl (2R)-2-[(5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 126091879
(5E)-5-[(2-bromophenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 126200968
(5Z)-5-[(2-fluorophenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 125493925
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 21230388
(5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 11391642

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione (CID 126201992) is (5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione is CN1C(=O)N/C(=C/c2cc(Cl)cc(I)c2O)C1=O.
What is the InChIKey of (5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione?
The InChIKey is VXFURTYFBZOLTI-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H8ClIN2O3/c1-15-10(17)8(14-11(15)18)3-5-2-6(12)4-7(13)9(5)16/h2-4,16H,1H3,(H,14,18)/b8-3+.
What are the key properties of (5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione?
(5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione has a molecular weight of 378.55 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-chloro-2-hydroxy-3-iodophenyl)methylidene]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 126201992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).