1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole

C12H13FN2O — CID 155472277

IUPAC1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole
SMILESCOC(C)c1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C12H13FN2O/c1-9(16-2)10-3-4-12(11(13)7-10)15-6-5-14-8-15/h3-9H,1-2H3
InChIKeyCOFGYBKIMNAAIL-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.72
Rot. Bonds3

About 1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole

1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole (PubChem CID 155472277) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole
PubChem CID155472277
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole
SMILESCOC(C)c1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C12H13FN2O/c1-9(16-2)10-3-4-12(11(13)7-10)15-6-5-14-8-15/h3-9H,1-2H3
InChIKeyCOFGYBKIMNAAIL-UHFFFAOYSA-N
XLogP2.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole?
The IUPAC name of 1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole (CID 155472277) is 1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole.
What is the SMILES notation for 1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole?
The canonical SMILES for 1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole is COC(C)c1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole?
The InChIKey is COFGYBKIMNAAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-9(16-2)10-3-4-12(11(13)7-10)15-6-5-14-8-15/h3-9H,1-2H3.
What are the key properties of 1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole?
1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole has a molecular weight of 220.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole is sourced from PubChem (CID 155472277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).