1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione

C13H13BrN2O4 — CID 7823968

IUPAC1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CCOc2cccc(Br)c2)C1=O
InChIInChI=1S/C13H13BrN2O4/c1-2-15-11(17)12(18)16(13(15)19)6-7-20-10-5-3-4-9(14)8-10/h3-5,8H,2,6-7H2,1H3
InChIKeyPWDQESQEPVVVIM-UHFFFAOYSA-N
MW341.16 g/mol
LogP1.64
Rot. Bonds5

About 1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione

1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione (PubChem CID 7823968) has the molecular formula C13H13BrN2O4 and a molecular weight of 341.16 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
PubChem CID7823968
Molecular FormulaC13H13BrN2O4
Molecular Weight341.16 g/mol
Exact Mass340.01
IUPAC Name1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(CCOc2cccc(Br)c2)C1=O
InChIInChI=1S/C13H13BrN2O4/c1-2-15-11(17)12(18)16(13(15)19)6-7-20-10-5-3-4-9(14)8-10/h3-5,8H,2,6-7H2,1H3
InChIKeyPWDQESQEPVVVIM-UHFFFAOYSA-N
XLogP1.64
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-bromophenoxy)ethyl]isoindole-1,3-dione;ethane
CID 91468658
1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione
CID 82124588
2-[3-(3-bromophenoxy)propyl]isoindole-1,3-dione
CID 68968338
1-[2-(2,6-dichlorophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7824108
1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one
CID 54970700
2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
CID 69097570
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
1-benzyl-3-[2-(3-chlorophenoxy)ethyl]imidazolidine-2,4,5-trione
CID 18079393
(5S)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178203
1-[2-(3-bromophenoxy)ethyl]-7-ethylindole
CID 116618781
1-bromo-3-ethoxybenzene;ethane
CID 143900364
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione (CID 7823968) is 1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(CCOc2cccc(Br)c2)C1=O.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione?
The InChIKey is PWDQESQEPVVVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4/c1-2-15-11(17)12(18)16(13(15)19)6-7-20-10-5-3-4-9(14)8-10/h3-5,8H,2,6-7H2,1H3.
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione?
1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione has a molecular weight of 341.16 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)ethyl]-3-ethylimidazolidine-2,4,5-trione is sourced from PubChem (CID 7823968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).