2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone

C12H11FN2O — CID 114347319

IUPAC2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone
SMILESCc1cc(F)ccc1CC(=O)c1ncc[nH]1
InChIInChI=1S/C12H11FN2O/c1-8-6-10(13)3-2-9(8)7-11(16)12-14-4-5-15-12/h2-6H,7H2,1H3,(H,14,15)
InChIKeyYSEUCXUKXLQCQH-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.28
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone

2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone (PubChem CID 114347319) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone
PubChem CID114347319
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone
SMILESCc1cc(F)ccc1CC(=O)c1ncc[nH]1
InChIInChI=1S/C12H11FN2O/c1-8-6-10(13)3-2-9(8)7-11(16)12-14-4-5-15-12/h2-6H,7H2,1H3,(H,14,15)
InChIKeyYSEUCXUKXLQCQH-UHFFFAOYSA-N
XLogP2.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone (CID 114347319) is 2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone is Cc1cc(F)ccc1CC(=O)c1ncc[nH]1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone?
The InChIKey is YSEUCXUKXLQCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-6-10(13)3-2-9(8)7-11(16)12-14-4-5-15-12/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone?
2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone has a molecular weight of 218.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 114347319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).