2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid

C18H11BrClIN2O5 — CID 126077045

IUPAC2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid
SMILESO=C(O)COc1c(Br)cc(I)cc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C18H11BrClIN2O5/c19-13-7-11(21)4-9(16(13)28-8-15(24)25)5-14-17(26)23(18(27)22-14)12-3-1-2-10(20)6-12/h1-7H,8H2,(H,22,27)(H,24,25)/b14-5+
InChIKeyGIIZYZNWSRFICI-LHHJGKSTSA-N
MW577.56 g/mol
LogP4.27
Rot. Bonds5

About 2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid

2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid (PubChem CID 126077045) has the molecular formula C18H11BrClIN2O5 and a molecular weight of 577.56 g/mol. Its IUPAC name is 2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid
PubChem CID126077045
Molecular FormulaC18H11BrClIN2O5
Molecular Weight577.56 g/mol
Exact Mass575.86
IUPAC Name2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid
SMILESO=C(O)COc1c(Br)cc(I)cc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C18H11BrClIN2O5/c19-13-7-11(21)4-9(16(13)28-8-15(24)25)5-14-17(26)23(18(27)22-14)12-3-1-2-10(20)6-12/h1-7H,8H2,(H,22,27)(H,24,25)/b14-5+
InChIKeyGIIZYZNWSRFICI-LHHJGKSTSA-N
XLogP4.27
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.56
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 21214144
2-[2,6-dibromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126259679
(5E)-3-(3-chlorophenyl)-5-[[3,5-dibromo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126110188
(5E)-5-[(2-bromophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100863
2-[2-bromo-6-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-4-iodophenoxy]acetic acid
CID 21216101
2-[2-bromo-4-iodo-6-[(E)-[1-[2-(3-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126102594
(5E)-5-[[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126103489
2-[5-bromo-4-[(Z)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-ethoxyphenoxy]acetate
CID 2190358
methyl 2-[5-bromo-4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 21234076
5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 3408548
2-[2,4-dibromo-6-[(E)-[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide
CID 126269473
2-[5-bromo-4-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126124469

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid?
The IUPAC name of 2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid (CID 126077045) is 2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid.
What is the SMILES notation for 2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid?
The canonical SMILES for 2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid is O=C(O)COc1c(Br)cc(I)cc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid?
The InChIKey is GIIZYZNWSRFICI-LHHJGKSTSA-N. The full InChI is InChI=1S/C18H11BrClIN2O5/c19-13-7-11(21)4-9(16(13)28-8-15(24)25)5-14-17(26)23(18(27)22-14)12-3-1-2-10(20)6-12/h1-7H,8H2,(H,22,27)(H,24,25)/b14-5+.
What are the key properties of 2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid?
2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid has a molecular weight of 577.56 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-4-iodophenoxy]acetic acid is sourced from PubChem (CID 126077045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).