(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone

C11H8F2N2O — CID 107976884

IUPAC(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)c2cccc(F)c2F)c1
InChIInChI=1S/C11H8F2N2O/c1-15-5-9(14-6-15)11(16)7-3-2-4-8(12)10(7)13/h2-6H,1H3
InChIKeyUCHWNEURBWTMEW-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.93
Rot. Bonds2

About (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone

(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone (PubChem CID 107976884) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone
PubChem CID107976884
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)c2cccc(F)c2F)c1
InChIInChI=1S/C11H8F2N2O/c1-15-5-9(14-6-15)11(16)7-3-2-4-8(12)10(7)13/h2-6H,1H3
InChIKeyUCHWNEURBWTMEW-UHFFFAOYSA-N
XLogP1.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.93
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
(2,3-difluorophenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802768
(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone
CID 105101741
(2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 118679658
(2,3-difluorophenyl)-pyrazin-2-ylmethanone
CID 63987968
2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone
CID 107976486
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol
CID 107978391
(2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 105101862
methyl 2-[(1-methylimidazole-4-carbonyl)amino]benzoate
CID 103858088
N-[3-fluoro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylimidazole-4-carboxamide
CID 107974143
(4-aminophenyl)-(1-methylimidazol-4-yl)methanone
CID 130508917
(1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107977650

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone (CID 107976884) is (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)c2cccc(F)c2F)c1.
What is the InChIKey of (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone?
The InChIKey is UCHWNEURBWTMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c1-15-5-9(14-6-15)11(16)7-3-2-4-8(12)10(7)13/h2-6H,1H3.
What are the key properties of (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone?
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone has a molecular weight of 222.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 107976884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).