1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone

C12H11FN2O — CID 116880620

IUPAC1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(-c2ccc(F)c(C)c2)[nH]1
InChIInChI=1S/C12H11FN2O/c1-7-5-9(3-4-10(7)13)11-6-14-12(15-11)8(2)16/h3-6H,1-2H3,(H,14,15)
InChIKeyGIALCWLVUVARRJ-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.73
Rot. Bonds2

About 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone

1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone (PubChem CID 116880620) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
PubChem CID116880620
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(-c2ccc(F)c(C)c2)[nH]1
InChIInChI=1S/C12H11FN2O/c1-7-5-9(3-4-10(7)13)11-6-14-12(15-11)8(2)16/h3-6H,1-2H3,(H,14,15)
InChIKeyGIALCWLVUVARRJ-UHFFFAOYSA-N
XLogP2.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluoro-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 82079702
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878701
1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880689
1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone
CID 116880631
methyl (2S)-2-amino-2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]acetate
CID 102970522
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882769
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid
CID 116883404
1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880650
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878411
[1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol
CID 116882008
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882853
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 82290112

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone?
The IUPAC name of 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone (CID 116880620) is 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone is CC(=O)c1ncc(-c2ccc(F)c(C)c2)[nH]1.
What is the InChIKey of 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone?
The InChIKey is GIALCWLVUVARRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-7-5-9(3-4-10(7)13)11-6-14-12(15-11)8(2)16/h3-6H,1-2H3,(H,14,15).
What are the key properties of 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone?
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone has a molecular weight of 218.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone is sourced from PubChem (CID 116880620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).