2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone

C12H11FN2O — CID 60660147

IUPAC2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H11FN2O/c1-15-7-6-14-12(15)11(16)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3
InChIKeyZVCYEGMPLPKWSF-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.98
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone

2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone (PubChem CID 60660147) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone
PubChem CID60660147
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H11FN2O/c1-15-7-6-14-12(15)11(16)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3
InChIKeyZVCYEGMPLPKWSF-UHFFFAOYSA-N
XLogP1.98
TPSA34.89 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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone (CID 60660147) is 2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone?
The InChIKey is ZVCYEGMPLPKWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-15-7-6-14-12(15)11(16)8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone?
2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone has a molecular weight of 218.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 60660147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).