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

C13H15FN2O — CID 79744598

IUPAC2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
SMILESCCn1ccnc1CC(O)c1ccccc1F
InChIInChI=1S/C13H15FN2O/c1-2-16-8-7-15-13(16)9-12(17)10-5-3-4-6-11(10)14/h3-8,12,17H,2,9H2,1H3
InChIKeyJUZIRMHQPHTMTQ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.32
Rot. Bonds4

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

2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol (PubChem CID 79744598) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
PubChem CID79744598
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
SMILESCCn1ccnc1CC(O)c1ccccc1F
InChIInChI=1S/C13H15FN2O/c1-2-16-8-7-15-13(16)9-12(17)10-5-3-4-6-11(10)14/h3-8,12,17H,2,9H2,1H3
InChIKeyJUZIRMHQPHTMTQ-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115819308
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
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2-(1-ethylimidazol-2-yl)-1-pyridin-2-ylethanol
CID 79743859
2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanol
CID 105112369
2-(1-ethylimidazol-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanol
CID 103129027
1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
CID 103849674
1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819253
1-(2,3-difluorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 115819194
1-(2,6-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744137
1-(2-fluoro-5-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115820989
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CID 115819361

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol (CID 79744598) is 2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol is CCn1ccnc1CC(O)c1ccccc1F.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol?
The InChIKey is JUZIRMHQPHTMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-2-16-8-7-15-13(16)9-12(17)10-5-3-4-6-11(10)14/h3-8,12,17H,2,9H2,1H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol?
2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol has a molecular weight of 234.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 79744598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).