1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol

C15H16N2OS — CID 115819253

IUPAC1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)c1cc2ccccc2s1
InChIInChI=1S/C15H16N2OS/c1-2-17-8-7-16-15(17)10-12(18)14-9-11-5-3-4-6-13(11)19-14/h3-9,12,18H,2,10H2,1H3
InChIKeyWYAVCQCGRKRRGT-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.39
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol

1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol (PubChem CID 115819253) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
PubChem CID115819253
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)c1cc2ccccc2s1
InChIInChI=1S/C15H16N2OS/c1-2-17-8-7-16-15(17)10-12(18)14-9-11-5-3-4-6-13(11)19-14/h3-9,12,18H,2,10H2,1H3
InChIKeyWYAVCQCGRKRRGT-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79744784
2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol
CID 115819308
2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
CID 79744598
2-(1-ethylimidazol-2-yl)-1-pyridin-2-ylethanol
CID 79743859
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 114980831
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819265
1-(1-benzothiophen-2-yl)-2-[(1-tert-butylimidazol-2-yl)methylamino]ethanol
CID 166311230
1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol
CID 105112307
1-(1-benzothiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 115814230
2-(1-ethylimidazol-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanol
CID 103129027
2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanol
CID 105112369

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol (CID 115819253) is 1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol is CCn1ccnc1CC(O)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol?
The InChIKey is WYAVCQCGRKRRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-17-8-7-16-15(17)10-12(18)14-9-11-5-3-4-6-13(11)19-14/h3-9,12,18H,2,10H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol?
1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol has a molecular weight of 272.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol is sourced from PubChem (CID 115819253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).