1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one

C13H17BrN2O3 — CID 112621106

IUPAC1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one
SMILESCc1cc(Br)cc(CO)c1OCCN1CCNC1=O
InChIInChI=1S/C13H17BrN2O3/c1-9-6-11(14)7-10(8-17)12(9)19-5-4-16-3-2-15-13(16)18/h6-7,17H,2-5,8H2,1H3,(H,15,18)
InChIKeyAAZYIMHDVVCKKL-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.65
Rot. Bonds5

About 1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one

1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one (PubChem CID 112621106) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one
PubChem CID112621106
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one
SMILESCc1cc(Br)cc(CO)c1OCCN1CCNC1=O
InChIInChI=1S/C13H17BrN2O3/c1-9-6-11(14)7-10(8-17)12(9)19-5-4-16-3-2-15-13(16)18/h6-7,17H,2-5,8H2,1H3,(H,15,18)
InChIKeyAAZYIMHDVVCKKL-UHFFFAOYSA-N
XLogP1.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide
CID 2301036
1-[2-[2-Fluoro-6-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 112613063
2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 115962164
2-[2-(4-Bromo-2,6-dimethylphenoxy)ethylazaniumyl]ethyl-dimethylazanium
CID 2221482
N'-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]-N,N-dimethyl-1,2-ethanediamine oxalate
CID 2221483
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 7701783
2-(4-Bromo-2,6-dimethylphenoxy)-1-piperazin-4-ium-1-ylethanone
CID 9156632
2-(4-Bromo-2,6-dimethylphenoxy)-1-piperazin-1-ylethanone
CID 9156633
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(diethylamino)ethyl]acetamide
CID 17218378
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-ethylacetamide
CID 17449757
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 17490468
1-[2-[2-(Hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 28562543

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one (CID 112621106) is 1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one is Cc1cc(Br)cc(CO)c1OCCN1CCNC1=O.
What is the InChIKey of 1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one?
The InChIKey is AAZYIMHDVVCKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-9-6-11(14)7-10(8-17)12(9)19-5-4-16-3-2-15-13(16)18/h6-7,17H,2-5,8H2,1H3,(H,15,18).
What are the key properties of 1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one?
1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one has a molecular weight of 329.19 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 112621106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).