1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone

C13H12F2N2O — CID 130437789

IUPAC1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2c(F)cccc2F)c(C)n1C
InChIInChI=1S/C13H12F2N2O/c1-7-12(16-13(8(2)18)17(7)3)11-9(14)5-4-6-10(11)15/h4-6H,1-3H3
InChIKeyXKXQLGDTFULZAR-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.88
Rot. Bonds2

About 1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone

1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone (PubChem CID 130437789) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone
PubChem CID130437789
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2c(F)cccc2F)c(C)n1C
InChIInChI=1S/C13H12F2N2O/c1-7-12(16-13(8(2)18)17(7)3)11-9(14)5-4-6-10(11)15/h4-6H,1-3H3
InChIKeyXKXQLGDTFULZAR-UHFFFAOYSA-N
XLogP2.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-phenethyl-1H-1,3-benzimidazol-2-yl)-1-ethanone
CID 3748671
1-(1-benzyl-1H-1,3-benzimidazol-2-yl)-1-ethanone
CID 797053
1-Ethyl-2-phenylbenzimidazole-4,7-dione
CID 46933600
1-(1-Methyl-4,5-diphenylimidazol-2-yl)-2-phenylethanone
CID 72163800
2-[4-(4-fluorophenyl)-1H-imidazol-1-yl]acetamide
CID 709799
(1-methyl-4,5-diphenyl-1H-imidazol-2-yl)(piperidin-1-yl)methanone
CID 9968042
1-Methyl-4-phenyl-1H-imidazole-2-carboxaldehyde
CID 14598982
1-[1-methyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-yl]ethan-1-one
CID 54772660
1-(1-methyl-5-phenyl-1H-imidazol-2-yl)ethan-1-one
CID 83383482
1-Benzyl-2-methyl-benzimidazole-4,7-dione
CID 493153
2,2,2-Trifluoro-1-(3-methyl-2-phenylimidazol-4-yl)ethanone
CID 10944963
(E)-3-(4-fluorophenyl)-1-(1-octylbenzimidazol-2-yl)prop-2-en-1-one
CID 145980672

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone?
The IUPAC name of 1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone (CID 130437789) is 1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone is CC(=O)c1nc(-c2c(F)cccc2F)c(C)n1C.
What is the InChIKey of 1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone?
The InChIKey is XKXQLGDTFULZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-7-12(16-13(8(2)18)17(7)3)11-9(14)5-4-6-10(11)15/h4-6H,1-3H3.
What are the key properties of 1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone?
1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone has a molecular weight of 250.25 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluorophenyl)-1,5-dimethylimidazol-2-yl]ethanone is sourced from PubChem (CID 130437789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).