3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one

C13H15BrN2O3 — CID 19603657

IUPAC3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one
SMILESCOc1cc(Br)c(CCn2cc[nH]c2=O)cc1OC
InChIInChI=1S/C13H15BrN2O3/c1-18-11-7-9(10(14)8-12(11)19-2)3-5-16-6-4-15-13(16)17/h4,6-8H,3,5H2,1-2H3,(H,15,17)
InChIKeyVKZOYUDDARCXPX-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.20
Rot. Bonds5

About 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one

3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one (PubChem CID 19603657) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one
PubChem CID19603657
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one
SMILESCOc1cc(Br)c(CCn2cc[nH]c2=O)cc1OC
InChIInChI=1S/C13H15BrN2O3/c1-18-11-7-9(10(14)8-12(11)19-2)3-5-16-6-4-15-13(16)17/h4,6-8H,3,5H2,1-2H3,(H,15,17)
InChIKeyVKZOYUDDARCXPX-UHFFFAOYSA-N
XLogP2.20
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]isoindole-1,3-dione
CID 162236502
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one
CID 22456831
1-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-hydroxy-5-methylpyrrolidin-2-one
CID 15886711
3-[2-(dimethylamino)ethyl]-1H-imidazol-2-one
CID 103125044
3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one
CID 22456861
3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one
CID 103125812
5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine
CID 65301088
3-(5-hydroxypentyl)-1H-imidazol-2-one
CID 107319623
1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 13212596
1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
CID 138723532
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
4-(2-oxo-1H-imidazol-3-yl)butanoic acid
CID 82412574

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one (CID 19603657) is 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one is COc1cc(Br)c(CCn2cc[nH]c2=O)cc1OC.
What is the InChIKey of 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one?
The InChIKey is VKZOYUDDARCXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-18-11-7-9(10(14)8-12(11)19-2)3-5-16-6-4-15-13(16)17/h4,6-8H,3,5H2,1-2H3,(H,15,17).
What are the key properties of 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one?
3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one has a molecular weight of 327.18 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 19603657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).