[5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol

C13H15BrN2O3 — CID 84607495

IUPAC[5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol
SMILESCOc1cc(OC)cc(-c2nc(Br)c(CO)n2C)c1
InChIInChI=1S/C13H15BrN2O3/c1-16-11(7-17)12(14)15-13(16)8-4-9(18-2)6-10(5-8)19-3/h4-6,17H,7H2,1-3H3
InChIKeyBIEXSSNWBVOJAO-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.36
Rot. Bonds4

About [5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol

[5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol (PubChem CID 84607495) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is [5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol
PubChem CID84607495
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name[5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol
SMILESCOc1cc(OC)cc(-c2nc(Br)c(CO)n2C)c1
InChIInChI=1S/C13H15BrN2O3/c1-16-11(7-17)12(14)15-13(16)8-4-9(18-2)6-10(5-8)19-3/h4-6,17H,7H2,1-3H3
InChIKeyBIEXSSNWBVOJAO-UHFFFAOYSA-N
XLogP2.36
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol?
The IUPAC name of [5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol (CID 84607495) is [5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol is COc1cc(OC)cc(-c2nc(Br)c(CO)n2C)c1.
What is the InChIKey of [5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol?
The InChIKey is BIEXSSNWBVOJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-16-11(7-17)12(14)15-13(16)8-4-9(18-2)6-10(5-8)19-3/h4-6,17H,7H2,1-3H3.
What are the key properties of [5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol?
[5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol has a molecular weight of 327.18 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(3,5-dimethoxyphenyl)-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 84607495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).