1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol

C14H17BrN2O3 — CID 79743952

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCOc1cc(Br)c(C(O)Cc2nccn2C)cc1OC
InChIInChI=1S/C14H17BrN2O3/c1-17-5-4-16-14(17)8-11(18)9-6-12(19-2)13(20-3)7-10(9)15/h4-7,11,18H,8H2,1-3H3
InChIKeyCFBYSDRBGHKHFU-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.48
Rot. Bonds5

About 1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol

1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol (PubChem CID 79743952) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol
PubChem CID79743952
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCOc1cc(Br)c(C(O)Cc2nccn2C)cc1OC
InChIInChI=1S/C14H17BrN2O3/c1-17-5-4-16-14(17)8-11(18)9-6-12(19-2)13(20-3)7-10(9)15/h4-7,11,18H,8H2,1-3H3
InChIKeyCFBYSDRBGHKHFU-UHFFFAOYSA-N
XLogP2.48
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820394
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 115349938
1-(3-bromo-4-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529049
1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79752976
1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821013
1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 61087578
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 56692684
1-(6-methoxypyridazin-3-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 103373713
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744159
1-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744422
1-(2-bromo-4,5-dimethoxyphenyl)-2-(3-methylphenyl)ethanol
CID 62389072

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol (CID 79743952) is 1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol is COc1cc(Br)c(C(O)Cc2nccn2C)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol?
The InChIKey is CFBYSDRBGHKHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-17-5-4-16-14(17)8-11(18)9-6-12(19-2)13(20-3)7-10(9)15/h4-7,11,18H,8H2,1-3H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol?
1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol has a molecular weight of 341.21 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 79743952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).