methyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate

C17H14N2O4 — CID 57400733

IUPACmethyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(C3NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C17H14N2O4/c1-23-16(21)13-8-4-11(5-9-13)10-2-6-12(7-3-10)14-15(20)19-17(22)18-14/h2-9,14H,1H3,(H2,18,19,20,22)
InChIKeyLKXUUOZTVHWYNM-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.02
Rot. Bonds3

About methyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate

methyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate (PubChem CID 57400733) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate
PubChem CID57400733
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Namemethyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(C3NC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C17H14N2O4/c1-23-16(21)13-8-4-11(5-9-13)10-2-6-12(7-3-10)14-15(20)19-17(22)18-14/h2-9,14H,1H3,(H2,18,19,20,22)
InChIKeyLKXUUOZTVHWYNM-UHFFFAOYSA-N
XLogP2.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate?
The IUPAC name of methyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate (CID 57400733) is methyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate.
What is the SMILES notation for methyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate?
The canonical SMILES for methyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate is COC(=O)c1ccc(-c2ccc(C3NC(=O)NC3=O)cc2)cc1.
What is the InChIKey of methyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate?
The InChIKey is LKXUUOZTVHWYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-23-16(21)13-8-4-11(5-9-13)10-2-6-12(7-3-10)14-15(20)19-17(22)18-14/h2-9,14H,1H3,(H2,18,19,20,22).
What are the key properties of methyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate?
methyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate has a molecular weight of 310.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(2,5-dioxoimidazolidin-4-yl)phenyl]benzoate is sourced from PubChem (CID 57400733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).