(5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione

C23H24Cl2N2O5 — CID 46499331

IUPAC(5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2\NC(=O)NC2=O)cc(Cl)c1OCCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C23H24Cl2N2O5/c1-4-30-19-12-15(11-18-22(28)27-23(29)26-18)10-17(24)21(19)32-7-5-6-31-16-8-13(2)20(25)14(3)9-16/h8-12H,4-7H2,1-3H3,(H2,26,27,28,29)/b18-11-
InChIKeyWQPONXPQUJKECF-WQRHYEAKSA-N
MW479.36 g/mol
LogP5.04
Rot. Bonds9

About (5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione

(5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 46499331) has the molecular formula C23H24Cl2N2O5 and a molecular weight of 479.36 g/mol. Its IUPAC name is (5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
PubChem CID46499331
Molecular FormulaC23H24Cl2N2O5
Molecular Weight479.36 g/mol
Exact Mass478.11
IUPAC Name(5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
SMILESCCOc1cc(/C=C2\NC(=O)NC2=O)cc(Cl)c1OCCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C23H24Cl2N2O5/c1-4-30-19-12-15(11-18-22(28)27-23(29)26-18)10-17(24)21(19)32-7-5-6-31-16-8-13(2)20(25)14(3)9-16/h8-12H,4-7H2,1-3H3,(H2,26,27,28,29)/b18-11-
InChIKeyWQPONXPQUJKECF-WQRHYEAKSA-N
XLogP5.04
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.36
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 1319896
5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3264930
N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 22682909
(5E)-5-[[3-chloro-4-[3-(3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2226737
5-[[3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2895775
5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3938732
(5Z)-5-[[3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154792410
ethyl 2-[2-bromo-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]acetate
CID 6163934
(5E)-5-[(3-chloro-4,5-diethoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126251789
5-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 19579529
(5E)-5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5293272
2-[2,6-dichloro-4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid
CID 2913129

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione (CID 46499331) is (5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione is CCOc1cc(/C=C2\NC(=O)NC2=O)cc(Cl)c1OCCCOc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of (5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is WQPONXPQUJKECF-WQRHYEAKSA-N. The full InChI is InChI=1S/C23H24Cl2N2O5/c1-4-30-19-12-15(11-18-22(28)27-23(29)26-18)10-17(24)21(19)32-7-5-6-31-16-8-13(2)20(25)14(3)9-16/h8-12H,4-7H2,1-3H3,(H2,26,27,28,29)/b18-11-.
What are the key properties of (5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione?
(5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 479.36 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 46499331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).