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

C24H18BrFN2O3 — CID 1316496

IUPAC(5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C24H18BrFN2O3/c25-19-8-4-16(5-9-19)14-28-23(29)22(27-24(28)30)13-18-2-1-3-21(12-18)31-15-17-6-10-20(26)11-7-17/h1-13H,14-15H2,(H,27,30)/b22-13+
InChIKeyIRIJMJPIKIRYDF-LPYMAVHISA-N
MW481.32 g/mol
LogP5.26
Rot. Bonds6

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

(5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 1316496) has the molecular formula C24H18BrFN2O3 and a molecular weight of 481.32 g/mol. Its IUPAC name is (5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID1316496
Molecular FormulaC24H18BrFN2O3
Molecular Weight481.32 g/mol
Exact Mass480.05
IUPAC Name(5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C24H18BrFN2O3/c25-19-8-4-16(5-9-19)14-28-23(29)22(27-24(28)30)13-18-2-1-3-21(12-18)31-15-17-6-10-20(26)11-7-17/h1-13H,14-15H2,(H,27,30)/b22-13+
InChIKeyIRIJMJPIKIRYDF-LPYMAVHISA-N
XLogP5.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.32
LogP ≤ 55.26
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-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126243860
3-[(4-bromophenyl)methyl]-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione
CID 3656604
(5E)-3-benzyl-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126213972
(5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126021313
(5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126213334
(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126259753
3-benzyl-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 3879997
(5E)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126232824
methyl 5-[[4-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 3552984
(5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6383605
(5E)-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126016951
3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2910779

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (CID 1316496) is (5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccc(Br)cc1.
What is the InChIKey of (5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is IRIJMJPIKIRYDF-LPYMAVHISA-N. The full InChI is InChI=1S/C24H18BrFN2O3/c25-19-8-4-16(5-9-19)14-28-23(29)22(27-24(28)30)13-18-2-1-3-21(12-18)31-15-17-6-10-20(26)11-7-17/h1-13H,14-15H2,(H,27,30)/b22-13+.
What are the key properties of (5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 481.32 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(4-bromophenyl)methyl]-5-[[3-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 1316496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).