(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione

C19H15ClI2N2O3 — CID 126237152

IUPAC(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)C1=O
InChIInChI=1S/C19H15ClI2N2O3/c1-2-24-18(25)16(23-19(24)26)9-12-7-14(21)17(15(22)8-12)27-10-11-3-5-13(20)6-4-11/h3-9H,2,10H2,1H3,(H,23,26)/b16-9+
InChIKeyHGWBAKKBBQVZOC-CXUHLZMHSA-N
MW608.60 g/mol
LogP5.04
Rot. Bonds5

About (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione

(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione (PubChem CID 126237152) has the molecular formula C19H15ClI2N2O3 and a molecular weight of 608.60 g/mol. Its IUPAC name is (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione
PubChem CID126237152
Molecular FormulaC19H15ClI2N2O3
Molecular Weight608.60 g/mol
Exact Mass607.89
IUPAC Name(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)C1=O
InChIInChI=1S/C19H15ClI2N2O3/c1-2-24-18(25)16(23-19(24)26)9-12-7-14(21)17(15(22)8-12)27-10-11-3-5-13(20)6-4-11/h3-9H,2,10H2,1H3,(H,23,26)/b16-9+
InChIKeyHGWBAKKBBQVZOC-CXUHLZMHSA-N
XLogP5.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.60
LogP ≤ 55.04
H-Bond Donors ≤ 51
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)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126248041
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126069916
(5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126178544
(5E)-3-benzyl-5-[[3,5-diiodo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126244261
(5E)-5-[[3,5-diiodo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126235263
2-[(4E)-4-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126111925
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126243184
(5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126239095
(5E)-5-[[3-ethoxy-5-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126180947
(5E)-3-ethyl-5-[[4-[(4-fluorophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126227626
(5E)-3-ethyl-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126179288
(5Z)-5-[[3,5-dichloro-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 126013910

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione (CID 126237152) is (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione is CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)C1=O.
What is the InChIKey of (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione?
The InChIKey is HGWBAKKBBQVZOC-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H15ClI2N2O3/c1-2-24-18(25)16(23-19(24)26)9-12-7-14(21)17(15(22)8-12)27-10-11-3-5-13(20)6-4-11/h3-9H,2,10H2,1H3,(H,23,26)/b16-9+.
What are the key properties of (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione?
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione has a molecular weight of 608.60 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 126237152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).