2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol

C12H15BrN2OS — CID 66162836

IUPAC2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCC(C)n1cncc1C(O)Cc1sccc1Br
InChIInChI=1S/C12H15BrN2OS/c1-8(2)15-7-14-6-10(15)11(16)5-12-9(13)3-4-17-12/h3-4,6-8,11,16H,5H2,1-2H3
InChIKeyJBXXVGVXCHRFIJ-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.56
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol

2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol (PubChem CID 66162836) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
PubChem CID66162836
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCC(C)n1cncc1C(O)Cc1sccc1Br
InChIInChI=1S/C12H15BrN2OS/c1-8(2)15-7-14-6-10(15)11(16)5-12-9(13)3-4-17-12/h3-4,6-8,11,16H,5H2,1-2H3
InChIKeyJBXXVGVXCHRFIJ-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116708
2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol
CID 66162635
2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105090951
2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163449
2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164033
2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105090888
2-(2-methoxyphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162236
2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163237
4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid
CID 66130717
2-(3-bromothiophen-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769527
1-(3-bromothiophen-2-yl)-4-phenylpentan-2-ol
CID 65150014

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol (CID 66162836) is 2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol is CC(C)n1cncc1C(O)Cc1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The InChIKey is JBXXVGVXCHRFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-8(2)15-7-14-6-10(15)11(16)5-12-9(13)3-4-17-12/h3-4,6-8,11,16H,5H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol has a molecular weight of 315.24 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol is sourced from PubChem (CID 66162836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).