2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol

C14H17BrN2O2 — CID 116882865

IUPAC2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol
SMILESCCC(CO)c1ncc(-c2cc(Br)ccc2OC)[nH]1
InChIInChI=1S/C14H17BrN2O2/c1-3-9(8-18)14-16-7-12(17-14)11-6-10(15)4-5-13(11)19-2/h4-7,9,18H,3,8H2,1-2H3,(H,16,17)
InChIKeyXISBPLDGGHGWOF-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.33
Rot. Bonds5

About 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol

2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol (PubChem CID 116882865) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol
PubChem CID116882865
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol
SMILESCCC(CO)c1ncc(-c2cc(Br)ccc2OC)[nH]1
InChIInChI=1S/C14H17BrN2O2/c1-3-9(8-18)14-16-7-12(17-14)11-6-10(15)4-5-13(11)19-2/h4-7,9,18H,3,8H2,1-2H3,(H,16,17)
InChIKeyXISBPLDGGHGWOF-UHFFFAOYSA-N
XLogP3.33
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882773
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutanenitrile
CID 116883231
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882670
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65233468
5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 116877631
2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882887
[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878261
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882782
2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876649
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882722
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882853

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol?
The IUPAC name of 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol (CID 116882865) is 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol.
What is the SMILES notation for 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol?
The canonical SMILES for 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol is CCC(CO)c1ncc(-c2cc(Br)ccc2OC)[nH]1.
What is the InChIKey of 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol?
The InChIKey is XISBPLDGGHGWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-9(8-18)14-16-7-12(17-14)11-6-10(15)4-5-13(11)19-2/h4-7,9,18H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol?
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol has a molecular weight of 325.21 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol is sourced from PubChem (CID 116882865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).