2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate

C20H15BrClN2O6- — CID 2190358

IUPAC2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate
SMILESCCOc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCC(=O)[O-]
InChIInChI=1S/C20H16BrClN2O6/c1-2-29-16-7-11(14(21)9-17(16)30-10-18(25)26)6-15-19(27)24(20(28)23-15)13-5-3-4-12(22)8-13/h3-9H,2,10H2,1H3,(H,23,28)(H,25,26)/p-1/b15-6-
InChIKeyLTBIZMUMPDDTPC-UUASQNMZSA-M
MW494.71 g/mol
LogP2.73
Rot. Bonds7

About 2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate

2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate (PubChem CID 2190358) has the molecular formula C20H15BrClN2O6- and a molecular weight of 494.71 g/mol. Its IUPAC name is 2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate.

Molecular Properties

Compound Name2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate
PubChem CID2190358
Molecular FormulaC20H15BrClN2O6-
Molecular Weight494.71 g/mol
Exact Mass492.98
IUPAC Name2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate
SMILESCCOc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCC(=O)[O-]
InChIInChI=1S/C20H16BrClN2O6/c1-2-29-16-7-11(14(21)9-17(16)30-10-18(25)26)6-15-19(27)24(20(28)23-15)13-5-3-4-12(22)8-13/h3-9H,2,10H2,1H3,(H,23,28)(H,25,26)/p-1/b15-6-
InChIKeyLTBIZMUMPDDTPC-UUASQNMZSA-M
XLogP2.73
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.71
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 3408548
methyl 2-[5-bromo-4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 21234076
(5E)-5-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126020754
2-[5-bromo-4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126124469
3-(3-chlorophenyl)-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4038187
(5E)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126176026
(5E)-5-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126249801
(5E)-5-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126099184
3-(3-chlorophenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]imidazolidine-2,4-dione
CID 3414014
methyl 2-[5-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 126181228
5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 1004078
(5Z)-3-(3-chlorophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6520407

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate?
The IUPAC name of 2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate (CID 2190358) is 2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate.
What is the SMILES notation for 2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate?
The canonical SMILES for 2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate is CCOc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCC(=O)[O-].
What is the InChIKey of 2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate?
The InChIKey is LTBIZMUMPDDTPC-UUASQNMZSA-M. The full InChI is InChI=1S/C20H16BrClN2O6/c1-2-29-16-7-11(14(21)9-17(16)30-10-18(25)26)6-15-19(27)24(20(28)23-15)13-5-3-4-12(22)8-13/h3-9H,2,10H2,1H3,(H,23,28)(H,25,26)/p-1/b15-6-.
What are the key properties of 2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate?
2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate has a molecular weight of 494.71 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate is sourced from PubChem (CID 2190358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).