[5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol

C14H17BrN2O2 — CID 112621150

IUPAC[5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol
SMILESCCn1cncc1COc1c(C)cc(Br)cc1CO
InChIInChI=1S/C14H17BrN2O2/c1-3-17-9-16-6-13(17)8-19-14-10(2)4-12(15)5-11(14)7-18/h4-6,9,18H,3,7-8H2,1-2H3
InChIKeyJIJZMBPOXPTDGK-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.05
Rot. Bonds5

About [5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol

[5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol (PubChem CID 112621150) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is [5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol
PubChem CID112621150
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name[5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol
SMILESCCn1cncc1COc1c(C)cc(Br)cc1CO
InChIInChI=1S/C14H17BrN2O2/c1-3-17-9-16-6-13(17)8-19-14-10(2)4-12(15)5-11(14)7-18/h4-6,9,18H,3,7-8H2,1-2H3
InChIKeyJIJZMBPOXPTDGK-UHFFFAOYSA-N
XLogP3.05
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3-ethylimidazol-4-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 66155308
[5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol
CID 115962171
[3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]methanol
CID 66152427
(5-bromo-3-methyl-2-propoxyphenyl)methanol
CID 112621128
3-bromo-5-[(3-ethylimidazol-4-yl)methoxy]pyridine
CID 66153755
[5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 112620962
[5-bromo-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methylphenyl]methanol
CID 115962229
4-[(3-ethylimidazol-4-yl)methoxy]-3,5-difluorobenzoic acid
CID 79887466
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]propan-1-ol
CID 112620944
[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621009
[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102
5-bromo-3-methyl-2-[(3-methylimidazol-4-yl)methoxy]benzoic acid
CID 112620901

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol?
The IUPAC name of [5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol (CID 112621150) is [5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol?
The canonical SMILES for [5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol is CCn1cncc1COc1c(C)cc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol?
The InChIKey is JIJZMBPOXPTDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-17-9-16-6-13(17)8-19-14-10(2)4-12(15)5-11(14)7-18/h4-6,9,18H,3,7-8H2,1-2H3.
What are the key properties of [5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol?
[5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol has a molecular weight of 325.21 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol is sourced from PubChem (CID 112621150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).