1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole

C12H11FN2O — CID 125476287

IUPAC1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole
SMILESCOc1ccc(/C=C(/F)n2ccnc2)cc1
InChIInChI=1S/C12H11FN2O/c1-16-11-4-2-10(3-5-11)8-12(13)15-7-6-14-9-15/h2-9H,1H3/b12-8-
InChIKeyWLUMSFDCYKGGIC-WQLSENKSSA-N
MW218.23 g/mol
LogP2.82
Rot. Bonds3

About 1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole

1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole (PubChem CID 125476287) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole.

Molecular Properties

Compound Name1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole
PubChem CID125476287
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole
SMILESCOc1ccc(/C=C(/F)n2ccnc2)cc1
InChIInChI=1S/C12H11FN2O/c1-16-11-4-2-10(3-5-11)8-12(13)15-7-6-14-9-15/h2-9H,1H3/b12-8-
InChIKeyWLUMSFDCYKGGIC-WQLSENKSSA-N
XLogP2.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-Methoxy-3,4-dihydronaphthalen-2-yl)-1H-imidazole
CID 3021561
1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
SKF-96365 free base
CID 104956
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
1-[2-(4-methoxyphenoxy)ethyl]-1H-imidazole
CID 868397
1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814
1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
CID 2852313
Imidazole, 1-[2-(2,4,6-trimethylphenoxy)ethyl]-
CID 565898
1-Imidazol-1-yl-3-(4-octylphenoxy)propan-2-one
CID 46230393
1-[3-(4-methylphenoxy)propyl]-1H-imidazole
CID 2841348
1-[2-(2,3-dimethylphenoxy)ethyl]-1H-imidazole
CID 868561

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole?
The IUPAC name of 1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole (CID 125476287) is 1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole.
What is the SMILES notation for 1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole?
The canonical SMILES for 1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole is COc1ccc(/C=C(/F)n2ccnc2)cc1.
What is the InChIKey of 1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole?
The InChIKey is WLUMSFDCYKGGIC-WQLSENKSSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-16-11-4-2-10(3-5-11)8-12(13)15-7-6-14-9-15/h2-9H,1H3/b12-8-.
What are the key properties of 1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole?
1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole has a molecular weight of 218.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole is sourced from PubChem (CID 125476287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).