methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate

C14H14N2O4 — CID 78414890

IUPACmethyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)NC(=Cc2ccccc2C)C1=O
InChIInChI=1S/C14H14N2O4/c1-9-5-3-4-6-10(9)7-11-13(18)16(14(19)15-11)8-12(17)20-2/h3-7H,8H2,1-2H3,(H,15,19)
InChIKeyIYRMYBYSUHNWOI-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.06
Rot. Bonds3

About methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate

methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 78414890) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID78414890
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1C(=O)NC(=Cc2ccccc2C)C1=O
InChIInChI=1S/C14H14N2O4/c1-9-5-3-4-6-10(9)7-11-13(18)16(14(19)15-11)8-12(17)20-2/h3-7H,8H2,1-2H3,(H,15,19)
InChIKeyIYRMYBYSUHNWOI-UHFFFAOYSA-N
XLogP1.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
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

methyl 2-[2,5-dioxo-4-[(2-phenylsulfanylphenyl)methylidene]imidazolidin-1-yl]acetate
CID 3953476
N-(2-methoxyphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17354273
methyl 2-[(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6490219
N-(4-methylphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 19256101
(5Z)-3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 45095770
3-ethyl-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 131856720
N-(4-chlorophenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632724
methyl 2-[2,5-dioxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate
CID 4045724
methyl 2-[4-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 71832654
methyl 2-[(4E)-4-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6045873
methyl 2-[4-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 4017494
2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16632893

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate (CID 78414890) is methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is COC(=O)CN1C(=O)NC(=Cc2ccccc2C)C1=O.
What is the InChIKey of methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is IYRMYBYSUHNWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-5-3-4-6-10(9)7-11-13(18)16(14(19)15-11)8-12(17)20-2/h3-7H,8H2,1-2H3,(H,15,19).
What are the key properties of methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate?
methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 274.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 78414890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).