(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione

C13H14N2O5 — CID 760516

IUPAC(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)NC2=O)cc(OC)c1OC
InChIInChI=1S/C13H14N2O5/c1-18-9-5-7(6-10(19-2)11(9)20-3)4-8-12(16)15-13(17)14-8/h4-6H,1-3H3,(H2,14,15,16,17)/b8-4+
InChIKeyMIPHJRZSHMVBJB-XBXARRHUSA-N
MW278.26 g/mol
LogP0.89
Rot. Bonds4

About (5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 760516) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is (5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID760516
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)NC2=O)cc(OC)c1OC
InChIInChI=1S/C13H14N2O5/c1-18-9-5-7(6-10(19-2)11(9)20-3)4-8-12(16)15-13(17)14-8/h4-6H,1-3H3,(H2,14,15,16,17)/b8-4+
InChIKeyMIPHJRZSHMVBJB-XBXARRHUSA-N
XLogP0.89
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2189796
[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-iodo-6-methoxyphenyl] acetate
CID 2169359
2-[2-bromo-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-6-methoxyphenoxy]acetonitrile
CID 7028523
(5E)-5-[[4-[(2R)-butan-2-yl]oxy-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126057174
(5Z)-5-[(3-bromo-5-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 21215971
5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3969795
(5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2271864
(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
[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenyl] acetate
CID 54271325
(5E)-5-[(3-methoxy-4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 24752455
5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2912531

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 760516) is (5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione is COc1cc(/C=C2/NC(=O)NC2=O)cc(OC)c1OC.
What is the InChIKey of (5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is MIPHJRZSHMVBJB-XBXARRHUSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-18-9-5-7(6-10(19-2)11(9)20-3)4-8-12(16)15-13(17)14-8/h4-6H,1-3H3,(H2,14,15,16,17)/b8-4+.
What are the key properties of (5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 278.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 760516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).