2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone

C12H11FN2O2 — CID 82116358

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone
SMILESCOc1ccc(CC(=O)n2ccnc2)cc1F
InChIInChI=1S/C12H11FN2O2/c1-17-11-3-2-9(6-10(11)13)7-12(16)15-5-4-14-8-15/h2-6,8H,7H2,1H3
InChIKeyRGVREVFYNDSHSV-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.91
Rot. Bonds3

About 2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone

2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone (PubChem CID 82116358) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone
PubChem CID82116358
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone
SMILESCOc1ccc(CC(=O)n2ccnc2)cc1F
InChIInChI=1S/C12H11FN2O2/c1-17-11-3-2-9(6-10(11)13)7-12(16)15-5-4-14-8-15/h2-6,8H,7H2,1H3
InChIKeyRGVREVFYNDSHSV-UHFFFAOYSA-N
XLogP1.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
CID 81257589
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
2-(3-fluoro-4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 39953694
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione
CID 66083020
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130
1-(3-fluoro-4-methoxyphenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446280
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541
(3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
CID 86798893
1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
CID 62620066
1-[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 97236526

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone (CID 82116358) is 2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone is COc1ccc(CC(=O)n2ccnc2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone?
The InChIKey is RGVREVFYNDSHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-17-11-3-2-9(6-10(11)13)7-12(16)15-5-4-14-8-15/h2-6,8H,7H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone?
2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone has a molecular weight of 234.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone is sourced from PubChem (CID 82116358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).