(5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione

C23H21BrCl2N2O3 — CID 126091369

IUPAC(5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H21BrCl2N2O3/c24-16-7-9-21(31-13-14-6-8-17(25)12-19(14)26)15(10-16)11-20-22(29)28(23(30)27-20)18-4-2-1-3-5-18/h6-12,18H,1-5,13H2,(H,27,30)/b20-11-
InChIKeyYCLYHJHHDPGGTH-JAIQZWGSSA-N
MW524.24 g/mol
LogP6.56
Rot. Bonds5

About (5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione

(5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione (PubChem CID 126091369) has the molecular formula C23H21BrCl2N2O3 and a molecular weight of 524.24 g/mol. Its IUPAC name is (5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
PubChem CID126091369
Molecular FormulaC23H21BrCl2N2O3
Molecular Weight524.24 g/mol
Exact Mass522.01
IUPAC Name(5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1C1CCCCC1
InChIInChI=1S/C23H21BrCl2N2O3/c24-16-7-9-21(31-13-14-6-8-17(25)12-19(14)26)15(10-16)11-20-22(29)28(23(30)27-20)18-4-2-1-3-5-18/h6-12,18H,1-5,13H2,(H,27,30)/b20-11-
InChIKeyYCLYHJHHDPGGTH-JAIQZWGSSA-N
XLogP6.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.24
LogP ≤ 56.56
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

(5Z)-3-cyclohexyl-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126087649
(5E)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126148765
(5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126097230
(5E)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione
CID 124601763
(5Z)-5-[[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
CID 6522087
(5Z)-3-cyclohexyl-5-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126083453
(5E)-3-cyclohexyl-5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19547787
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723049
(5Z)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126086497
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331546
(5E)-3-cyclohexyl-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50872023
(5E)-5-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126249801

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione (CID 126091369) is (5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione is O=C1N/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1C1CCCCC1.
What is the InChIKey of (5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione?
The InChIKey is YCLYHJHHDPGGTH-JAIQZWGSSA-N. The full InChI is InChI=1S/C23H21BrCl2N2O3/c24-16-7-9-21(31-13-14-6-8-17(25)12-19(14)26)15(10-16)11-20-22(29)28(23(30)27-20)18-4-2-1-3-5-18/h6-12,18H,1-5,13H2,(H,27,30)/b20-11-.
What are the key properties of (5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione?
(5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione has a molecular weight of 524.24 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexylimidazolidine-2,4-dione is sourced from PubChem (CID 126091369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).