ethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate

C15H19BrN2O3 — CID 121468242

IUPACethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccc(Br)cc2CC)C1=O
InChIInChI=1S/C15H19BrN2O3/c1-3-11-9-12(16)5-6-13(11)18-8-7-17(15(18)20)10-14(19)21-4-2/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyHHVQDJWGLCFONX-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.82
Rot. Bonds5

About ethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate

ethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate (PubChem CID 121468242) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is ethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate
PubChem CID121468242
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Nameethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccc(Br)cc2CC)C1=O
InChIInChI=1S/C15H19BrN2O3/c1-3-11-9-12(16)5-6-13(11)18-8-7-17(15(18)20)10-14(19)21-4-2/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyHHVQDJWGLCFONX-UHFFFAOYSA-N
XLogP2.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate (CID 121468242) is ethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate is CCOC(=O)CN1CCN(c2ccc(Br)cc2CC)C1=O.
What is the InChIKey of ethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate?
The InChIKey is HHVQDJWGLCFONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-3-11-9-12(16)5-6-13(11)18-8-7-17(15(18)20)10-14(19)21-4-2/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of ethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate?
ethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 355.23 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 121468242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).