[5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol

C12H12BrClN2O2 — CID 84609235

IUPAC[5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol
SMILESCOc1ccc(-c2nc(CO)c(Br)n2C)cc1Cl
InChIInChI=1S/C12H12BrClN2O2/c1-16-11(13)9(6-17)15-12(16)7-3-4-10(18-2)8(14)5-7/h3-5,17H,6H2,1-2H3
InChIKeyNCPCQIYFARANKL-UHFFFAOYSA-N
MW331.60 g/mol
LogP3.00
Rot. Bonds3

About [5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol

[5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol (PubChem CID 84609235) has the molecular formula C12H12BrClN2O2 and a molecular weight of 331.60 g/mol. Its IUPAC name is [5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol
PubChem CID84609235
Molecular FormulaC12H12BrClN2O2
Molecular Weight331.60 g/mol
Exact Mass329.98
IUPAC Name[5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol
SMILESCOc1ccc(-c2nc(CO)c(Br)n2C)cc1Cl
InChIInChI=1S/C12H12BrClN2O2/c1-16-11(13)9(6-17)15-12(16)7-3-4-10(18-2)8(14)5-7/h3-5,17H,6H2,1-2H3
InChIKeyNCPCQIYFARANKL-UHFFFAOYSA-N
XLogP3.00
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol
CID 84606373
2-(3-chloro-4-methoxyphenyl)-1-methylimidazole
CID 146601290
[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867349
2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
CID 84609239
[3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 82049211
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
6-(3-chloro-4-methoxyphenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one
CID 82445230
6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82517171
[2-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]methanol
CID 65022073
[5-bromo-2-(4-methoxy-3-propan-2-ylphenyl)-3-methylimidazol-4-yl]methanamine
CID 84611572
3-(3-chloro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82304555
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol?
The IUPAC name of [5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol (CID 84609235) is [5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol.
What is the SMILES notation for [5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol?
The canonical SMILES for [5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol is COc1ccc(-c2nc(CO)c(Br)n2C)cc1Cl.
What is the InChIKey of [5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol?
The InChIKey is NCPCQIYFARANKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2/c1-16-11(13)9(6-17)15-12(16)7-3-4-10(18-2)8(14)5-7/h3-5,17H,6H2,1-2H3.
What are the key properties of [5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol?
[5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol has a molecular weight of 331.60 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol is sourced from PubChem (CID 84609235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).