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

C24H17BrClFN2O3 — CID 126021313

IUPAC(5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H17BrClFN2O3/c25-18-5-10-22(32-14-16-1-6-19(26)7-2-16)17(11-18)12-21-23(30)29(24(31)28-21)13-15-3-8-20(27)9-4-15/h1-12H,13-14H2,(H,28,31)/b21-12+
InChIKeyYGGJGCWWBGWTJQ-CIAFOILYSA-N
MW515.77 g/mol
LogP5.91
Rot. Bonds6

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

(5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126021313) has the molecular formula C24H17BrClFN2O3 and a molecular weight of 515.77 g/mol. Its IUPAC name is (5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID126021313
Molecular FormulaC24H17BrClFN2O3
Molecular Weight515.77 g/mol
Exact Mass514.01
IUPAC Name(5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C24H17BrClFN2O3/c25-18-5-10-22(32-14-16-1-6-19(26)7-2-16)17(11-18)12-21-23(30)29(24(31)28-21)13-15-3-8-20(27)9-4-15/h1-12H,13-14H2,(H,28,31)/b21-12+
InChIKeyYGGJGCWWBGWTJQ-CIAFOILYSA-N
XLogP5.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.77
LogP ≤ 55.91
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-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126247622
2-[4-bromo-2-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 6184632
methyl 5-[[(4Z)-4-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 126402544
(5E)-5-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126250762
5-[(5-bromo-2-ethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 4657088
(5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 124532674
(5E)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126016951
(5Z)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 2269268
(5E)-5-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126023209
(5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 1316496
(5E)-5-[[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126132135
3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione
CID 1322343

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 126021313) is (5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione is O=C1N/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of (5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is YGGJGCWWBGWTJQ-CIAFOILYSA-N. The full InChI is InChI=1S/C24H17BrClFN2O3/c25-18-5-10-22(32-14-16-1-6-19(26)7-2-16)17(11-18)12-21-23(30)29(24(31)28-21)13-15-3-8-20(27)9-4-15/h1-12H,13-14H2,(H,28,31)/b21-12+.
What are the key properties of (5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 515.77 g/mol, XLogP of 5.91, 6 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-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126021313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).