1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone

C14H15FN2O — CID 114058503

IUPAC1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone
SMILESCCCc1nccn1-c1c(F)cccc1C(C)=O
InChIInChI=1S/C14H15FN2O/c1-3-5-13-16-8-9-17(13)14-11(10(2)18)6-4-7-12(14)15/h4,6-9H,3,5H2,1-2H3
InChIKeyMEHXCABANFWFPU-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.17
Rot. Bonds4

About 1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone

1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone (PubChem CID 114058503) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone
PubChem CID114058503
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone
SMILESCCCc1nccn1-c1c(F)cccc1C(C)=O
InChIInChI=1S/C14H15FN2O/c1-3-5-13-16-8-9-17(13)14-11(10(2)18)6-4-7-12(14)15/h4,6-9H,3,5H2,1-2H3
InChIKeyMEHXCABANFWFPU-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone (CID 114058503) is 1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone is CCCc1nccn1-c1c(F)cccc1C(C)=O.
What is the InChIKey of 1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone?
The InChIKey is MEHXCABANFWFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-3-5-13-16-8-9-17(13)14-11(10(2)18)6-4-7-12(14)15/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone?
1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone has a molecular weight of 246.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 114058503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).