1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole

C10H6F2N2O2 — CID 172759400

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole
SMILESFC1(F)Oc2ccc(-n3ccnc3)cc2O1
InChIInChI=1S/C10H6F2N2O2/c11-10(12)15-8-2-1-7(5-9(8)16-10)14-4-3-13-6-14/h1-6H
InChIKeyLLZLBQNWDJVSAR-UHFFFAOYSA-N
MW224.17 g/mol
LogP2.19
Rot. Bonds1

About 1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole

1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole (PubChem CID 172759400) has the molecular formula C10H6F2N2O2 and a molecular weight of 224.17 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole
PubChem CID172759400
Molecular FormulaC10H6F2N2O2
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole
SMILESFC1(F)Oc2ccc(-n3ccnc3)cc2O1
InChIInChI=1S/C10H6F2N2O2/c11-10(12)15-8-2-1-7(5-9(8)16-10)14-4-3-13-6-14/h1-6H
InChIKeyLLZLBQNWDJVSAR-UHFFFAOYSA-N
XLogP2.19
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,5-dimethylpyrazole
CID 176922321
1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolidine
CID 175743127
1-(3-fluoro-4-methylphenyl)imidazole
CID 18758587
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
1-naphthalen-2-ylimidazole
CID 23644748
(4-imidazol-1-ylphenyl)arsane
CID 173134933
4-imidazol-1-yl-2-methylaniline
CID 14450260
2-bromo-5-imidazol-1-ylphenol
CID 84701020
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
1-(4-fluoro-3-nitrophenyl)imidazole
CID 139799498

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole?
The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole (CID 172759400) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole.
What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole?
The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole is FC1(F)Oc2ccc(-n3ccnc3)cc2O1.
What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole?
The InChIKey is LLZLBQNWDJVSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2/c11-10(12)15-8-2-1-7(5-9(8)16-10)14-4-3-13-6-14/h1-6H.
What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole has a molecular weight of 224.17 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)imidazole is sourced from PubChem (CID 172759400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).