(5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione

C24H16Cl4N2O4 — CID 126100702

IUPAC(5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H16Cl4N2O4/c1-33-21-9-13(7-19(28)22(21)34-12-14-5-6-16(26)11-18(14)27)8-20-23(31)30(24(32)29-20)17-4-2-3-15(25)10-17/h2-11H,12H2,1H3,(H,29,32)/b20-8+
InChIKeyDFXQCNCKSRJDBR-DNTJNYDQSA-N
MW538.21 g/mol
LogP6.99
Rot. Bonds6

About (5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione

(5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 126100702) has the molecular formula C24H16Cl4N2O4 and a molecular weight of 538.21 g/mol. Its IUPAC name is (5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
PubChem CID126100702
Molecular FormulaC24H16Cl4N2O4
Molecular Weight538.21 g/mol
Exact Mass535.99
IUPAC Name(5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H16Cl4N2O4/c1-33-21-9-13(7-19(28)22(21)34-12-14-5-6-16(26)11-18(14)27)8-20-23(31)30(24(32)29-20)17-4-2-3-15(25)10-17/h2-11H,12H2,1H3,(H,29,32)/b20-8+
InChIKeyDFXQCNCKSRJDBR-DNTJNYDQSA-N
XLogP6.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.21
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[[2-chloro-4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126075091
(5E)-3-(3-chlorophenyl)-5-[[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126113475
(5E)-5-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126024584
(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126103566
(5Z)-5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126178097
(5E)-5-[[3-chloro-4-[(4-iodophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126241075
(5E)-5-[[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126112078
(5E)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126237589
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126017887
2-[2-chloro-4-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]acetic acid
CID 6518927
3-[[2-chloro-4-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126023126
(5E)-3-(3-chlorophenyl)-5-[[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126108790

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione (CID 126100702) is (5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione is COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The InChIKey is DFXQCNCKSRJDBR-DNTJNYDQSA-N. The full InChI is InChI=1S/C24H16Cl4N2O4/c1-33-21-9-13(7-19(28)22(21)34-12-14-5-6-16(26)11-18(14)27)8-20-23(31)30(24(32)29-20)17-4-2-3-15(25)10-17/h2-11H,12H2,1H3,(H,29,32)/b20-8+.
What are the key properties of (5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
(5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 538.21 g/mol, XLogP of 6.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126100702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).