2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol

C10H11BrN2OS — CID 66116708

IUPAC2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol
SMILESCn1cncc1C(O)Cc1sccc1Br
InChIInChI=1S/C10H11BrN2OS/c1-13-6-12-5-8(13)9(14)4-10-7(11)2-3-15-10/h2-3,5-6,9,14H,4H2,1H3
InChIKeyHWYUJHVVZYGEFL-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.52
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol

2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol (PubChem CID 66116708) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol
PubChem CID66116708
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol
SMILESCn1cncc1C(O)Cc1sccc1Br
InChIInChI=1S/C10H11BrN2OS/c1-13-6-12-5-8(13)9(14)4-10-7(11)2-3-15-10/h2-3,5-6,9,14H,4H2,1H3
InChIKeyHWYUJHVVZYGEFL-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162836
1-(3-methylimidazol-4-yl)-2-phenylethanol
CID 66118824
2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105090951
(3-bromothiophen-2-yl)-(3-methylimidazol-4-yl)methanamine
CID 82895953
2-(4-iodophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117760
1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 66117765
2-(3-bromothiophen-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105090888
2-(1-ethylpyrazol-4-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116928
2-(3-bromothiophen-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769527
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 114329930
2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117772
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanol
CID 62606491

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol (CID 66116708) is 2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol is Cn1cncc1C(O)Cc1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol?
The InChIKey is HWYUJHVVZYGEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c1-13-6-12-5-8(13)9(14)4-10-7(11)2-3-15-10/h2-3,5-6,9,14H,4H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol?
2-(3-bromothiophen-2-yl)-1-(3-methylimidazol-4-yl)ethanol has a molecular weight of 287.18 g/mol, XLogP of 2.52, 3 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-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 66116708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).