2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol

C12H12BrClN2O2 — CID 84609239

IUPAC2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
SMILESCOc1ccc(-c2nc(CCO)[nH]c2Br)cc1Cl
InChIInChI=1S/C12H12BrClN2O2/c1-18-9-3-2-7(6-8(9)14)11-12(13)16-10(15-11)4-5-17/h2-3,6,17H,4-5H2,1H3,(H,15,16)
InChIKeyZNZKXTZTTSYVFJ-UHFFFAOYSA-N
MW331.60 g/mol
LogP3.04
Rot. Bonds4

About 2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol

2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol (PubChem CID 84609239) has the molecular formula C12H12BrClN2O2 and a molecular weight of 331.60 g/mol. Its IUPAC name is 2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
PubChem CID84609239
Molecular FormulaC12H12BrClN2O2
Molecular Weight331.60 g/mol
Exact Mass329.98
IUPAC Name2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
SMILESCOc1ccc(-c2nc(CCO)[nH]c2Br)cc1Cl
InChIInChI=1S/C12H12BrClN2O2/c1-18-9-3-2-7(6-8(9)14)11-12(13)16-10(15-11)4-5-17/h2-3,6,17H,4-5H2,1H3,(H,15,16)
InChIKeyZNZKXTZTTSYVFJ-UHFFFAOYSA-N
XLogP3.04
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol
CID 84610434
3-[5-bromo-4-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 84611926
2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 84608942
1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84608935
[2-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]methanol
CID 65022073
[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867349
2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
CID 20556887
[5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol
CID 84609235
5-bromo-2-(3-chloro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66312310
[3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 82049211
2-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82481625
4-(3-chloro-4-methoxyphenyl)-5-(3-fluorophenyl)-2H-triazole
CID 59983923

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol?
The IUPAC name of 2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol (CID 84609239) is 2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol?
The canonical SMILES for 2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol is COc1ccc(-c2nc(CCO)[nH]c2Br)cc1Cl.
What is the InChIKey of 2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol?
The InChIKey is ZNZKXTZTTSYVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2/c1-18-9-3-2-7(6-8(9)14)11-12(13)16-10(15-11)4-5-17/h2-3,6,17H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol?
2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol has a molecular weight of 331.60 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 84609239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).