2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol

C12H16N2OS — CID 107978250

IUPAC2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol
SMILESCCc1ccc(CC(O)c2cn(C)cn2)s1
InChIInChI=1S/C12H16N2OS/c1-3-9-4-5-10(16-9)6-12(15)11-7-14(2)8-13-11/h4-5,7-8,12,15H,3,6H2,1-2H3
InChIKeyLMDRZPOQGWNJNO-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.32
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol

2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol (PubChem CID 107978250) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol
PubChem CID107978250
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol
SMILESCCc1ccc(CC(O)c2cn(C)cn2)s1
InChIInChI=1S/C12H16N2OS/c1-3-9-4-5-10(16-9)6-12(15)11-7-14(2)8-13-11/h4-5,7-8,12,15H,3,6H2,1-2H3
InChIKeyLMDRZPOQGWNJNO-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107974435
2-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978119
2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978156
1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 79583541
1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 107978538
2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978204
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978492
1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 107978387
2-(5-ethylthiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105087638
2-(5-ethylthiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanol
CID 165472767
1-(5-chlorofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 106693642
2,5-diethylthiophene
CID 521294

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol (CID 107978250) is 2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol is CCc1ccc(CC(O)c2cn(C)cn2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol?
The InChIKey is LMDRZPOQGWNJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-9-4-5-10(16-9)6-12(15)11-7-14(2)8-13-11/h4-5,7-8,12,15H,3,6H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol?
2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol has a molecular weight of 236.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(1-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 107978250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).