1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone

C12H11FN2O2 — CID 116880628

IUPAC1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone
SMILESCOc1ccc(F)cc1-c1cnc(C(C)=O)[nH]1
InChIInChI=1S/C12H11FN2O2/c1-7(16)12-14-6-10(15-12)9-5-8(13)3-4-11(9)17-2/h3-6H,1-2H3,(H,14,15)
InChIKeyVMJMJTNVDWCXBG-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.43
Rot. Bonds3

About 1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone

1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone (PubChem CID 116880628) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone
PubChem CID116880628
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone
SMILESCOc1ccc(F)cc1-c1cnc(C(C)=O)[nH]1
InChIInChI=1S/C12H11FN2O2/c1-7(16)12-14-6-10(15-12)9-5-8(13)3-4-11(9)17-2/h3-6H,1-2H3,(H,14,15)
InChIKeyVMJMJTNVDWCXBG-UHFFFAOYSA-N
XLogP2.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone?
The IUPAC name of 1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone (CID 116880628) is 1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone is COc1ccc(F)cc1-c1cnc(C(C)=O)[nH]1.
What is the InChIKey of 1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone?
The InChIKey is VMJMJTNVDWCXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7(16)12-14-6-10(15-12)9-5-8(13)3-4-11(9)17-2/h3-6H,1-2H3,(H,14,15).
What are the key properties of 1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone?
1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone has a molecular weight of 234.23 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone is sourced from PubChem (CID 116880628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).