2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole

C12H6BrF3N2O — CID 112730249

IUPAC2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(Br)o3)[nH]c2c1
InChIInChI=1S/C12H6BrF3N2O/c13-10-4-3-9(19-10)11-17-7-2-1-6(12(14,15)16)5-8(7)18-11/h1-5H,(H,17,18)
InChIKeyGHVOBSRLIRRPGS-UHFFFAOYSA-N
MW331.09 g/mol
LogP4.60
Rot. Bonds1

About 2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole

2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 112730249) has the molecular formula C12H6BrF3N2O and a molecular weight of 331.09 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID112730249
Molecular FormulaC12H6BrF3N2O
Molecular Weight331.09 g/mol
Exact Mass329.96
IUPAC Name2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(Br)o3)[nH]c2c1
InChIInChI=1S/C12H6BrF3N2O/c13-10-4-3-9(19-10)11-17-7-2-1-6(12(14,15)16)5-8(7)18-11/h1-5H,(H,17,18)
InChIKeyGHVOBSRLIRRPGS-UHFFFAOYSA-N
XLogP4.60
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.09
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromofuran-2-yl)-6-fluoro-1H-benzimidazole
CID 13004835
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455930
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455824
6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole
CID 13004842
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole (CID 112730249) is 2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(-c3ccc(Br)o3)[nH]c2c1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is GHVOBSRLIRRPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF3N2O/c13-10-4-3-9(19-10)11-17-7-2-1-6(12(14,15)16)5-8(7)18-11/h1-5H,(H,17,18).
What are the key properties of 2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole?
2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 331.09 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 112730249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).