1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone

C13H13FN2O — CID 115784443

IUPAC1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCc1ccc(C(=O)Cc2nccn2C)c(F)c1
InChIInChI=1S/C13H13FN2O/c1-9-3-4-10(11(14)7-9)12(17)8-13-15-5-6-16(13)2/h3-7H,8H2,1-2H3
InChIKeyNXBAPIPTBLQVTB-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.29
Rot. Bonds3

About 1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone

1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 115784443) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID115784443
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCc1ccc(C(=O)Cc2nccn2C)c(F)c1
InChIInChI=1S/C13H13FN2O/c1-9-3-4-10(11(14)7-9)12(17)8-13-15-5-6-16(13)2/h3-7H,8H2,1-2H3
InChIKeyNXBAPIPTBLQVTB-UHFFFAOYSA-N
XLogP2.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 106790241
2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62514005
1-(2-amino-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 116597700
1-(2-bromo-5-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115580335
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107944629
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107996510
1-(4-fluoro-3-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784488
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116318
2-[2-(2-methoxy-5-methylphenyl)prop-2-enyl]-1-methylimidazole
CID 89441655
2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone
CID 105116313
1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
CID 115799155
2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115792574

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone (CID 115784443) is 1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone is Cc1ccc(C(=O)Cc2nccn2C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is NXBAPIPTBLQVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9-3-4-10(11(14)7-9)12(17)8-13-15-5-6-16(13)2/h3-7H,8H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone?
1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 232.26 g/mol, XLogP of 2.29, 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-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 115784443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).