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

C23H14BrCl3N2O3 — CID 126075797

IUPAC(5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C23H14BrCl3N2O3/c24-15-5-7-21(32-12-13-4-6-18(26)19(27)8-13)14(9-15)10-20-22(30)29(23(31)28-20)17-3-1-2-16(25)11-17/h1-11H,12H2,(H,28,31)/b20-10+
InChIKeyXPYKCOVUCJVVOY-KEBDBYFISA-N
MW552.64 g/mol
LogP7.09
Rot. Bonds5

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

(5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 126075797) has the molecular formula C23H14BrCl3N2O3 and a molecular weight of 552.64 g/mol. Its IUPAC name is (5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
PubChem CID126075797
Molecular FormulaC23H14BrCl3N2O3
Molecular Weight552.64 g/mol
Exact Mass549.93
IUPAC Name(5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C23H14BrCl3N2O3/c24-15-5-7-21(32-12-13-4-6-18(26)19(27)8-13)14(9-15)10-20-22(30)29(23(31)28-20)17-3-1-2-16(25)11-17/h1-11H,12H2,(H,28,31)/b20-10+
InChIKeyXPYKCOVUCJVVOY-KEBDBYFISA-N
XLogP7.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5E)-5-[[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126110024
(5E)-5-[[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126103489
(5E)-5-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126099184
(5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 2301172
(5E)-3-(3-chlorophenyl)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126072508
(5E)-3-(3-chlorophenyl)-5-[[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126108790
(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126077301
4-[[2-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoate
CID 6959041
(5E)-3-(3-chlorophenyl)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126100114
(5E)-5-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 50870836
5-[(5-bromo-2-ethoxyphenyl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 3994258
(5Z)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 126038257

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione (CID 126075797) is (5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione is O=C1N/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The InChIKey is XPYKCOVUCJVVOY-KEBDBYFISA-N. The full InChI is InChI=1S/C23H14BrCl3N2O3/c24-15-5-7-21(32-12-13-4-6-18(26)19(27)8-13)14(9-15)10-20-22(30)29(23(31)28-20)17-3-1-2-16(25)11-17/h1-11H,12H2,(H,28,31)/b20-10+.
What are the key properties of (5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
(5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 552.64 g/mol, XLogP of 7.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126075797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).