1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol

C13H11FN2OS — CID 81104324

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol
SMILESOC(Cc1ncc[nH]1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H11FN2OS/c14-9-2-1-8-5-12(18-11(8)6-9)10(17)7-13-15-3-4-16-13/h1-6,10,17H,7H2,(H,15,16)
InChIKeyZIMAIFDLASLWQN-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.04
Rot. Bonds3

About 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol

1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol (PubChem CID 81104324) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol
PubChem CID81104324
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol
SMILESOC(Cc1ncc[nH]1)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H11FN2OS/c14-9-2-1-8-5-12(18-11(8)6-9)10(17)7-13-15-3-4-16-13/h1-6,10,17H,7H2,(H,15,16)
InChIKeyZIMAIFDLASLWQN-UHFFFAOYSA-N
XLogP3.04
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 81115344
2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 81105961
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115812042
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780125
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780349
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-3-hydroxypropanenitrile
CID 166011878
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038
(3S)-3-(6-fluoro-1-benzothiophen-2-yl)-N',3-dihydroxypropanimidamide
CID 167565890
2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 115785055
2-(1H-imidazol-2-yl)-1-thiophen-2-ylethanol
CID 22324780
2-(2,3-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 107312501

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol (CID 81104324) is 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol is OC(Cc1ncc[nH]1)c1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol?
The InChIKey is ZIMAIFDLASLWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c14-9-2-1-8-5-12(18-11(8)6-9)10(17)7-13-15-3-4-16-13/h1-6,10,17H,7H2,(H,15,16).
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol?
1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol has a molecular weight of 262.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethanol is sourced from PubChem (CID 81104324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).