[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate

C12H11BrN2O4 — CID 7478010

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate
SMILESO=C(OCC(=O)N1CCNC1=O)c1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O4/c13-9-3-1-8(2-4-9)11(17)19-7-10(16)15-6-5-14-12(15)18/h1-4H,5-7H2,(H,14,18)
InChIKeyUHIYMQJDGQQZCK-UHFFFAOYSA-N
MW327.13 g/mol
LogP1.16
Rot. Bonds3

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate (PubChem CID 7478010) has the molecular formula C12H11BrN2O4 and a molecular weight of 327.13 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate
PubChem CID7478010
Molecular FormulaC12H11BrN2O4
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate
SMILESO=C(OCC(=O)N1CCNC1=O)c1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O4/c13-9-3-1-8(2-4-9)11(17)19-7-10(16)15-6-5-14-12(15)18/h1-4H,5-7H2,(H,14,18)
InChIKeyUHIYMQJDGQQZCK-UHFFFAOYSA-N
XLogP1.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate (CID 7478010) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate is O=C(OCC(=O)N1CCNC1=O)c1ccc(Br)cc1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate?
The InChIKey is UHIYMQJDGQQZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O4/c13-9-3-1-8(2-4-9)11(17)19-7-10(16)15-6-5-14-12(15)18/h1-4H,5-7H2,(H,14,18).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate has a molecular weight of 327.13 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-bromobenzoate is sourced from PubChem (CID 7478010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).