2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone

C12H10ClFN2O — CID 107976486

IUPAC2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone
SMILESCn1cnc(C(=O)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C12H10ClFN2O/c1-16-6-11(15-7-16)12(17)5-8-9(13)3-2-4-10(8)14/h2-4,6-7H,5H2,1H3
InChIKeyVAAMMQWORVETNX-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.64
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone (PubChem CID 107976486) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone
PubChem CID107976486
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone
SMILESCn1cnc(C(=O)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C12H10ClFN2O/c1-16-6-11(15-7-16)12(17)5-8-9(13)3-2-4-10(8)14/h2-4,6-7H,5H2,1H3
InChIKeyVAAMMQWORVETNX-UHFFFAOYSA-N
XLogP2.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)propane-1,3-dione
CID 107972606
2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
CID 63974650
1-(5-bromo-2-pyridinyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 113398206
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730026
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone
CID 107976884
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 65362986
2-(furan-2-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 107977307
1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 43337746
2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone (CID 107976486) is 2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone is Cn1cnc(C(=O)Cc2c(F)cccc2Cl)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone?
The InChIKey is VAAMMQWORVETNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-16-6-11(15-7-16)12(17)5-8-9(13)3-2-4-10(8)14/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone has a molecular weight of 252.68 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone is sourced from PubChem (CID 107976486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).