2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol

C14H17BrN2O2 — CID 84606396

IUPAC2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol
SMILESCOc1c(C)cc(C)cc1-c1nc(CCO)[nH]c1Br
InChIInChI=1S/C14H17BrN2O2/c1-8-6-9(2)13(19-3)10(7-8)12-14(15)17-11(16-12)4-5-18/h6-7,18H,4-5H2,1-3H3,(H,16,17)
InChIKeyXHLBOSBZVNPGKM-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.00
Rot. Bonds4

About 2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol

2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol (PubChem CID 84606396) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol
PubChem CID84606396
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol
SMILESCOc1c(C)cc(C)cc1-c1nc(CCO)[nH]c1Br
InChIInChI=1S/C14H17BrN2O2/c1-8-6-9(2)13(19-3)10(7-8)12-14(15)17-11(16-12)4-5-18/h6-7,18H,4-5H2,1-3H3,(H,16,17)
InChIKeyXHLBOSBZVNPGKM-UHFFFAOYSA-N
XLogP3.00
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-4-(2-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
CID 84609241
2-[2-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-5-yl]ethanol
CID 116852103
1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 84606053
2-[5-bromo-4-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethanol
CID 84610434
2-(3,4-dimethoxy-5-methylphenyl)ethanol
CID 117286355
2-[4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82301640
1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880808
2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 96669273
[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478093
3-[5-bromo-4-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 84611926
5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole
CID 84610428
2-[4-(2-methoxy-3,5-dimethylphenyl)pyrimidin-5-yl]acetic acid
CID 82306329

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol?
The IUPAC name of 2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol (CID 84606396) is 2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol?
The canonical SMILES for 2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol is COc1c(C)cc(C)cc1-c1nc(CCO)[nH]c1Br.
What is the InChIKey of 2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol?
The InChIKey is XHLBOSBZVNPGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-8-6-9(2)13(19-3)10(7-8)12-14(15)17-11(16-12)4-5-18/h6-7,18H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol?
2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol has a molecular weight of 325.21 g/mol, XLogP of 3.00, 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-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 84606396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).