5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione

C17H12BrIN2O3 — CID 5099925

IUPAC5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(I)c2)N1
InChIInChI=1S/C17H12BrIN2O3/c18-12-4-1-10(2-5-12)9-24-15-6-3-11(7-13(15)19)8-14-16(22)21-17(23)20-14/h1-8H,9H2,(H2,20,21,22,23)
InChIKeyCMKRHMLCJIRIBL-UHFFFAOYSA-N
MW499.10 g/mol
LogP3.81
Rot. Bonds4

About 5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione

5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 5099925) has the molecular formula C17H12BrIN2O3 and a molecular weight of 499.10 g/mol. Its IUPAC name is 5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
PubChem CID5099925
Molecular FormulaC17H12BrIN2O3
Molecular Weight499.10 g/mol
Exact Mass497.91
IUPAC Name5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(I)c2)N1
InChIInChI=1S/C17H12BrIN2O3/c18-12-4-1-10(2-5-12)9-24-15-6-3-11(7-13(15)19)8-14-16(22)21-17(23)20-14/h1-8H,9H2,(H2,20,21,22,23)
InChIKeyCMKRHMLCJIRIBL-UHFFFAOYSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.10
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 2914266
(5Z)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 7326384
(5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126053628
(5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2271864
(5E)-5-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126053106
(5E)-5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137050238
(5E)-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126201008
(5E)-5-[[3,5-diiodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126055186
4-[[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]methyl]benzoate
CID 7371539
(5E)-3-ethyl-5-[[4-[(4-fluorophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126227626
(5E)-3-ethyl-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126179288
(5E)-1-(1,3-benzodioxol-5-yl)-5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 124601147

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione (CID 5099925) is 5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(I)c2)N1.
What is the InChIKey of 5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is CMKRHMLCJIRIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrIN2O3/c18-12-4-1-10(2-5-12)9-24-15-6-3-11(7-13(15)19)8-14-16(22)21-17(23)20-14/h1-8H,9H2,(H2,20,21,22,23).
What are the key properties of 5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione?
5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 499.10 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 5099925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).