5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione

C13H14N2O4 — CID 2912531

IUPAC5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(C=C2NC(=O)NC2=O)c(OC)c1C
InChIInChI=1S/C13H14N2O4/c1-7-10(18-2)5-4-8(11(7)19-3)6-9-12(16)15-13(17)14-9/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKeyMMRNXMGIVODBOI-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.19
Rot. Bonds3

About 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione

5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 2912531) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID2912531
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(C=C2NC(=O)NC2=O)c(OC)c1C
InChIInChI=1S/C13H14N2O4/c1-7-10(18-2)5-4-8(11(7)19-3)6-9-12(16)15-13(17)14-9/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKeyMMRNXMGIVODBOI-UHFFFAOYSA-N
XLogP1.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2848836
(3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one
CID 126124105
(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 760516
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2189796
(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 124646332
5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2299862
(5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2271864
5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3969795
5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 2912680
(5E)-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 751973
(5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
CID 696750
[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenyl] acetate
CID 54271325

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione (CID 2912531) is 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione is COc1ccc(C=C2NC(=O)NC2=O)c(OC)c1C.
What is the InChIKey of 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is MMRNXMGIVODBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7-10(18-2)5-4-8(11(7)19-3)6-9-12(16)15-13(17)14-9/h4-6H,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione?
5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 262.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2912531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).