1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one

C12H15BrN2O2 — CID 83133891

IUPAC1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one
SMILESCc1cc(OCCN2CCNC2=O)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-9-8-10(2-3-11(9)13)17-7-6-15-5-4-14-12(15)16/h2-3,8H,4-7H2,1H3,(H,14,16)
InChIKeyKUJDIQMWDKPYLX-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.16
Rot. Bonds4

About 1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one

1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one (PubChem CID 83133891) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one
PubChem CID83133891
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one
SMILESCc1cc(OCCN2CCNC2=O)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c1-9-8-10(2-3-11(9)13)17-7-6-15-5-4-14-12(15)16/h2-3,8H,4-7H2,1H3,(H,14,16)
InChIKeyKUJDIQMWDKPYLX-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis[2-methyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]phenyl]urea
CID 167826131
1-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethyl]imidazolidin-2-one
CID 107684155
5-bromo-3-methyl-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 115961943
1-[2-(1-methylpyrazol-4-yl)oxyethyl]imidazolidin-2-one
CID 116793935
1-[2-[2-(aminomethyl)-5-propoxyphenoxy]ethyl]imidazolidin-2-one
CID 43472113
1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one
CID 112621106
1-[2-[4-(aminomethyl)-2,6-dimethylphenoxy]ethyl]imidazolidin-2-one
CID 28967044
3,5-dimethyl-4-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 28932856
1-[2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]imidazolidin-2-one
CID 107683575
1-[2-(4-amino-2-fluoro-5-methylphenoxy)ethyl]imidazolidin-2-one
CID 114415672
1-[2-[3-[1-(methylamino)ethyl]phenoxy]ethyl]imidazolidin-2-one
CID 43279878
1-[2-[3-[hydroxy(methyl)amino]-2,4,6-trimethylphenoxy]ethyl]imidazolidin-2-one
CID 123156882

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one (CID 83133891) is 1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one is Cc1cc(OCCN2CCNC2=O)ccc1Br.
What is the InChIKey of 1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one?
The InChIKey is KUJDIQMWDKPYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-9-8-10(2-3-11(9)13)17-7-6-15-5-4-14-12(15)16/h2-3,8H,4-7H2,1H3,(H,14,16).
What are the key properties of 1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one?
1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one has a molecular weight of 299.17 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-methylphenoxy)ethyl]imidazolidin-2-one is sourced from PubChem (CID 83133891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).