ethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate

C13H13BrN2O4 — CID 2265089

IUPACethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)CN(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H13BrN2O4/c1-2-20-12(18)8-16-11(17)7-15(13(16)19)10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyNGLHIVDEKCVSQD-UHFFFAOYSA-N
MW341.16 g/mol
LogP1.78
Rot. Bonds4

About ethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate

ethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 2265089) has the molecular formula C13H13BrN2O4 and a molecular weight of 341.16 g/mol. Its IUPAC name is ethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID2265089
Molecular FormulaC13H13BrN2O4
Molecular Weight341.16 g/mol
Exact Mass340.01
IUPAC Nameethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)CN(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C13H13BrN2O4/c1-2-20-12(18)8-16-11(17)7-15(13(16)19)10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyNGLHIVDEKCVSQD-UHFFFAOYSA-N
XLogP1.78
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 2833569
CID 2833569
CID 870624
CID 870624
CID 654116
CID 654116
CID 1484099
CID 1484099
CID 2114251
CID 2114251
CID 6458942
CID 6458942
CID 2229480
CID 2229480
CID 71526192
CID 71526192
CID 71526193
CID 71526193
CID 4521870
CID 4521870
CID 131843957
CID 131843957
CID 134097535
CID 134097535

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 2265089) is ethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)CN(c2ccc(Br)cc2)C1=O.
What is the InChIKey of ethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is NGLHIVDEKCVSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4/c1-2-20-12(18)8-16-11(17)7-15(13(16)19)10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
ethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 341.16 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 2265089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).