2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol

C14H17BrN2O2 — CID 84606373

IUPAC2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol
SMILESCOc1ccc(-c2nc(CCO)c(Br)n2C)cc1C
InChIInChI=1S/C14H17BrN2O2/c1-9-8-10(4-5-12(9)19-3)14-16-11(6-7-18)13(15)17(14)2/h4-5,8,18H,6-7H2,1-3H3
InChIKeyOYRKUNIILMXIOA-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.70
Rot. Bonds4

About 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol

2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol (PubChem CID 84606373) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol
PubChem CID84606373
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol
SMILESCOc1ccc(-c2nc(CCO)c(Br)n2C)cc1C
InChIInChI=1S/C14H17BrN2O2/c1-9-8-10(4-5-12(9)19-3)14-16-11(6-7-18)13(15)17(14)2/h4-5,8,18H,6-7H2,1-3H3
InChIKeyOYRKUNIILMXIOA-UHFFFAOYSA-N
XLogP2.70
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol
CID 84609235
2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84608173
2-[2,3-bis(4-methoxy-3-methylphenyl)phenyl]ethanol
CID 173306019
2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol
CID 57197865
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine
CID 114245103
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 82094050
[2-(4-methoxy-3-methylphenyl)-1H-imidazol-5-yl]methanol
CID 63108344
2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol
CID 116889737
4-(chloromethyl)-6-(4-methoxy-3-methylphenyl)-2-methylpyridazin-3-one
CID 82444490
5-(2-hydroxyethyl)-2-methoxyphenol;2-(4-methoxy-3-methylphenyl)ethanol
CID 167594575
3-[5-bromo-4-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 84611926

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol?
The IUPAC name of 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol (CID 84606373) is 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol?
The canonical SMILES for 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol is COc1ccc(-c2nc(CCO)c(Br)n2C)cc1C.
What is the InChIKey of 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol?
The InChIKey is OYRKUNIILMXIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9-8-10(4-5-12(9)19-3)14-16-11(6-7-18)13(15)17(14)2/h4-5,8,18H,6-7H2,1-3H3.
What are the key properties of 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol?
2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol has a molecular weight of 325.21 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol is sourced from PubChem (CID 84606373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).