1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol

C13H15FN2O — CID 55064501

IUPAC1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol
SMILESCc1ncn(-c2cccc(F)c2C(C)O)c1C
InChIInChI=1S/C13H15FN2O/c1-8-9(2)16(7-15-8)12-6-4-5-11(14)13(12)10(3)17/h4-7,10,17H,1-3H3
InChIKeyMARWVKGFIFYSLT-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.68
Rot. Bonds2

About 1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol

1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol (PubChem CID 55064501) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol
PubChem CID55064501
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol
SMILESCc1ncn(-c2cccc(F)c2C(C)O)c1C
InChIInChI=1S/C13H15FN2O/c1-8-9(2)16(7-15-8)12-6-4-5-11(14)13(12)10(3)17/h4-7,10,17H,1-3H3
InChIKeyMARWVKGFIFYSLT-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol (CID 55064501) is 1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol is Cc1ncn(-c2cccc(F)c2C(C)O)c1C.
What is the InChIKey of 1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol?
The InChIKey is MARWVKGFIFYSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8-9(2)16(7-15-8)12-6-4-5-11(14)13(12)10(3)17/h4-7,10,17H,1-3H3.
What are the key properties of 1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol?
1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol has a molecular weight of 234.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethylimidazol-1-yl)-6-fluorophenyl]ethanol is sourced from PubChem (CID 55064501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).