[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol

C14H15BrN2O3 — CID 116882670

IUPAC[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
SMILESCOc1ccc(Br)cc1-c1cnc(C2(CO)COC2)[nH]1
InChIInChI=1S/C14H15BrN2O3/c1-19-12-3-2-9(15)4-10(12)11-5-16-13(17-11)14(6-18)7-20-8-14/h2-5,18H,6-8H2,1H3,(H,16,17)
InChIKeyYIBRYUMIKJEGNI-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.11
Rot. Bonds4

About [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol

[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol (PubChem CID 116882670) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
PubChem CID116882670
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
SMILESCOc1ccc(Br)cc1-c1cnc(C2(CO)COC2)[nH]1
InChIInChI=1S/C14H15BrN2O3/c1-19-12-3-2-9(15)4-10(12)11-5-16-13(17-11)14(6-18)7-20-8-14/h2-5,18H,6-8H2,1H3,(H,16,17)
InChIKeyYIBRYUMIKJEGNI-UHFFFAOYSA-N
XLogP2.11
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882722
[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882665
[1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol
CID 116882019
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882865
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882773
[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882683
5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 116877631
3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
CID 116882580
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutanenitrile
CID 116883231
methyl 1-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate
CID 116882510
[1-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]cyclopropyl]methanol
CID 116874725

Frequently Asked Questions

What is the IUPAC name of [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol?
The IUPAC name of [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol (CID 116882670) is [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol is COc1ccc(Br)cc1-c1cnc(C2(CO)COC2)[nH]1.
What is the InChIKey of [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol?
The InChIKey is YIBRYUMIKJEGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-19-12-3-2-9(15)4-10(12)11-5-16-13(17-11)14(6-18)7-20-8-14/h2-5,18H,6-8H2,1H3,(H,16,17).
What are the key properties of [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol?
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol has a molecular weight of 339.19 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol is sourced from PubChem (CID 116882670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).