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

C14H15FN2O — CID 81274194

IUPAC2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone
SMILESCCn1ccnc1CC(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H15FN2O/c1-3-17-7-6-16-14(17)9-13(18)12-5-4-11(15)8-10(12)2/h4-8H,3,9H2,1-2H3
InChIKeyHFRDJZHXSIVIHR-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.78
Rot. Bonds4

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

2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone (PubChem CID 81274194) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone
PubChem CID81274194
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone
SMILESCCn1ccnc1CC(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H15FN2O/c1-3-17-7-6-16-14(17)9-13(18)12-5-4-11(15)8-10(12)2/h4-8H,3,9H2,1-2H3
InChIKeyHFRDJZHXSIVIHR-UHFFFAOYSA-N
XLogP2.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 79744097
1-(3,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744270
1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 107984553
1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783528
1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783601
1-(3-chloro-4-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79743921
1-(4-amino-3-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 116547180
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 115783615
2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone
CID 115783583
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273633
1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783517
1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105095663

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone (CID 81274194) is 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone is CCn1ccnc1CC(=O)c1ccc(F)cc1C.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone?
The InChIKey is HFRDJZHXSIVIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-3-17-7-6-16-14(17)9-13(18)12-5-4-11(15)8-10(12)2/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone?
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone has a molecular weight of 246.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 81274194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).