1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone

C12H11FN2O — CID 118600908

IUPAC1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2cccc(C)c2F)cn1
InChIInChI=1S/C12H11FN2O/c1-8-4-3-5-11(12(8)13)15-6-10(9(2)16)14-7-15/h3-7H,1-2H3
InChIKeyRFLDAMRGUGCJAY-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.52
Rot. Bonds2

About 1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone

1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone (PubChem CID 118600908) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone
PubChem CID118600908
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2cccc(C)c2F)cn1
InChIInChI=1S/C12H11FN2O/c1-8-4-3-5-11(12(8)13)15-6-10(9(2)16)14-7-15/h3-7H,1-2H3
InChIKeyRFLDAMRGUGCJAY-UHFFFAOYSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone?
The IUPAC name of 1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone (CID 118600908) is 1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone is CC(=O)c1cn(-c2cccc(C)c2F)cn1.
What is the InChIKey of 1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone?
The InChIKey is RFLDAMRGUGCJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-4-3-5-11(12(8)13)15-6-10(9(2)16)14-7-15/h3-7H,1-2H3.
What are the key properties of 1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone?
1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone has a molecular weight of 218.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoro-3-methylphenyl)imidazol-4-yl]ethanone is sourced from PubChem (CID 118600908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).