2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol

C16H17FN2O2 — CID 105112280

IUPAC2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
SMILESCCn1ccnc1CC(O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C16H17FN2O2/c1-3-19-7-6-18-15(19)9-13(20)16-10(2)12-8-11(17)4-5-14(12)21-16/h4-8,13,20H,3,9H2,1-2H3
InChIKeyRJLXYNNKHHPKDQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.37
Rot. Bonds4

About 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol

2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol (PubChem CID 105112280) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
PubChem CID105112280
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
SMILESCCn1ccnc1CC(O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C16H17FN2O2/c1-3-19-7-6-18-15(19)9-13(20)16-10(2)12-8-11(17)4-5-14(12)21-16/h4-8,13,20H,3,9H2,1-2H3
InChIKeyRJLXYNNKHHPKDQ-UHFFFAOYSA-N
XLogP3.37
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078061
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1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4-methylpent-4-en-1-ol
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1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-en-1-ol
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CID 105111899
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)pent-3-yn-1-ol
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2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 105112405
1-(2,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
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2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
CID 79744598

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol (CID 105112280) is 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol is CCn1ccnc1CC(O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
The InChIKey is RJLXYNNKHHPKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-19-7-6-18-15(19)9-13(20)16-10(2)12-8-11(17)4-5-14(12)21-16/h4-8,13,20H,3,9H2,1-2H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol?
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol has a molecular weight of 288.32 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 105112280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).