(5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione

C11H8BrClN2O3 — CID 21215971

IUPAC(5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1c(Cl)cc(/C=C2\NC(=O)NC2=O)cc1Br
InChIInChI=1S/C11H8BrClN2O3/c1-18-9-6(12)2-5(3-7(9)13)4-8-10(16)15-11(17)14-8/h2-4H,1H3,(H2,14,15,16,17)/b8-4-
InChIKeyVCWXSEGMYVVTNS-YWEYNIOJSA-N
MW331.55 g/mol
LogP2.29
Rot. Bonds2

About (5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 21215971) has the molecular formula C11H8BrClN2O3 and a molecular weight of 331.55 g/mol. Its IUPAC name is (5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID21215971
Molecular FormulaC11H8BrClN2O3
Molecular Weight331.55 g/mol
Exact Mass329.94
IUPAC Name(5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1c(Cl)cc(/C=C2\NC(=O)NC2=O)cc1Br
InChIInChI=1S/C11H8BrClN2O3/c1-18-9-6(12)2-5(3-7(9)13)4-8-10(16)15-11(17)14-8/h2-4H,1H3,(H2,14,15,16,17)/b8-4-
InChIKeyVCWXSEGMYVVTNS-YWEYNIOJSA-N
XLogP2.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.55
LogP ≤ 52.29
H-Bond Donors ≤ 52
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

(5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2287272
(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 760516
5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3969795
2-[2-bromo-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]acetonitrile
CID 7028523
5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 78472496
2-[2,6-dichloro-4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetic acid
CID 2913129
(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2164881
(5E)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 1329690
(5E)-5-[(3,5-dichloro-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126053946
(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 124646332
(5E)-5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5293272
5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3264930

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 21215971) is (5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione is COc1c(Cl)cc(/C=C2\NC(=O)NC2=O)cc1Br.
What is the InChIKey of (5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is VCWXSEGMYVVTNS-YWEYNIOJSA-N. The full InChI is InChI=1S/C11H8BrClN2O3/c1-18-9-6(12)2-5(3-7(9)13)4-8-10(16)15-11(17)14-8/h2-4H,1H3,(H2,14,15,16,17)/b8-4-.
What are the key properties of (5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 331.55 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 21215971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).