(5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione

C25H19Cl2IN2O4 — CID 126178741

IUPAC(5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl
InChIInChI=1S/C25H19Cl2IN2O4/c1-2-33-22-13-15(11-20(28)23(22)34-14-16-5-3-4-6-19(16)27)12-21-24(31)30(25(32)29-21)18-9-7-17(26)8-10-18/h3-13H,2,14H2,1H3,(H,29,32)/b21-12+
InChIKeyJAHWLTIOJXYNGW-CIAFOILYSA-N
MW609.25 g/mol
LogP6.67
Rot. Bonds7

About (5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione

(5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126178741) has the molecular formula C25H19Cl2IN2O4 and a molecular weight of 609.25 g/mol. Its IUPAC name is (5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126178741
Molecular FormulaC25H19Cl2IN2O4
Molecular Weight609.25 g/mol
Exact Mass607.98
IUPAC Name(5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl
InChIInChI=1S/C25H19Cl2IN2O4/c1-2-33-22-13-15(11-20(28)23(22)34-14-16-5-3-4-6-19(16)27)12-21-24(31)30(25(32)29-21)18-9-7-17(26)8-10-18/h3-13H,2,14H2,1H3,(H,29,32)/b21-12+
InChIKeyJAHWLTIOJXYNGW-CIAFOILYSA-N
XLogP6.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.25
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126180738
(5E)-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126027202
(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 98077864
2-[4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxy-6-iodophenoxy]acetic acid
CID 126247576
(5Z)-5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126178097
(5E)-3-(4-chlorophenyl)-5-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126227805
(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126238779
5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 5050972
(5E)-3-(3-chlorophenyl)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126100114
(5E)-5-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 126027322
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126017887
(5E)-3-(3-chlorophenyl)-5-[[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126071686

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione (CID 126178741) is (5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione is CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccccc1Cl.
What is the InChIKey of (5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is JAHWLTIOJXYNGW-CIAFOILYSA-N. The full InChI is InChI=1S/C25H19Cl2IN2O4/c1-2-33-22-13-15(11-20(28)23(22)34-14-16-5-3-4-6-19(16)27)12-21-24(31)30(25(32)29-21)18-9-7-17(26)8-10-18/h3-13H,2,14H2,1H3,(H,29,32)/b21-12+.
What are the key properties of (5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 609.25 g/mol, XLogP of 6.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126178741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).