1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol

C13H15FN2O — CID 123852766

IUPAC1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol
SMILESCC(O)c1cncn1C(C)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-9(11-3-5-12(14)6-4-11)16-8-15-7-13(16)10(2)17/h3-10,17H,1-2H3
InChIKeyVWIPJCBYVUYNPG-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.68
Rot. Bonds3

About 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol

1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol (PubChem CID 123852766) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol
PubChem CID123852766
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol
SMILESCC(O)c1cncn1C(C)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c1-9(11-3-5-12(14)6-4-11)16-8-15-7-13(16)10(2)17/h3-10,17H,1-2H3
InChIKeyVWIPJCBYVUYNPG-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol?
The IUPAC name of 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol (CID 123852766) is 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol.
What is the SMILES notation for 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol?
The canonical SMILES for 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol is CC(O)c1cncn1C(C)c1ccc(F)cc1.
What is the InChIKey of 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol?
The InChIKey is VWIPJCBYVUYNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-9(11-3-5-12(14)6-4-11)16-8-15-7-13(16)10(2)17/h3-10,17H,1-2H3.
What are the key properties of 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol?
1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol has a molecular weight of 234.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]ethanol is sourced from PubChem (CID 123852766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).