5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione

C24H18Br2N2O3 — CID 3504062

IUPAC5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCc1cccc(COc2c(Br)cc(C=C3NC(=O)N(c4ccccc4)C3=O)cc2Br)c1
InChIInChI=1S/C24H18Br2N2O3/c1-15-6-5-7-16(10-15)14-31-22-19(25)11-17(12-20(22)26)13-21-23(29)28(24(30)27-21)18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,27,30)
InChIKeyCIHYSXLCOBVJCP-UHFFFAOYSA-N
MW542.23 g/mol
LogP6.20
Rot. Bonds5

About 5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione

5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 3504062) has the molecular formula C24H18Br2N2O3 and a molecular weight of 542.23 g/mol. Its IUPAC name is 5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID3504062
Molecular FormulaC24H18Br2N2O3
Molecular Weight542.23 g/mol
Exact Mass539.97
IUPAC Name5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCc1cccc(COc2c(Br)cc(C=C3NC(=O)N(c4ccccc4)C3=O)cc2Br)c1
InChIInChI=1S/C24H18Br2N2O3/c1-15-6-5-7-16(10-15)14-31-22-19(25)11-17(12-20(22)26)13-21-23(29)28(24(30)27-21)18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,27,30)
InChIKeyCIHYSXLCOBVJCP-UHFFFAOYSA-N
XLogP6.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.23
LogP ≤ 56.20
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-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126024584
(5E)-5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126240175
5-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 2925789
(5E)-5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126179428
(5E)-5-[[3,5-dibromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126239153
(5E)-5-[[3,5-dibromo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 126055050
(5E)-5-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126245188
(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126078830
(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126110188
(5E)-3-(3-chlorophenyl)-5-[[3-ethoxy-5-iodo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126071686
(5E)-3-(4-chlorophenyl)-5-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126258494
3-[[2-bromo-4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-6-ethoxyphenoxy]methyl]benzoic acid
CID 126074836

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione (CID 3504062) is 5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione is Cc1cccc(COc2c(Br)cc(C=C3NC(=O)N(c4ccccc4)C3=O)cc2Br)c1.
What is the InChIKey of 5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is CIHYSXLCOBVJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br2N2O3/c1-15-6-5-7-16(10-15)14-31-22-19(25)11-17(12-20(22)26)13-21-23(29)28(24(30)27-21)18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,27,30).
What are the key properties of 5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione?
5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 542.23 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 3504062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).