2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole

C14H7F5N2O — CID 168555419

IUPAC2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole
SMILESFc1ccc(OC(F)(F)F)c(F)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C14H7F5N2O/c15-7-5-6-10(22-14(17,18)19)12(16)11(7)13-20-8-3-1-2-4-9(8)21-13/h1-6H,(H,20,21)
InChIKeyIJFWTXBTKUQUBI-UHFFFAOYSA-N
MW314.21 g/mol
LogP4.41
Rot. Bonds2

About 2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole

2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole (PubChem CID 168555419) has the molecular formula C14H7F5N2O and a molecular weight of 314.21 g/mol. Its IUPAC name is 2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole
PubChem CID168555419
Molecular FormulaC14H7F5N2O
Molecular Weight314.21 g/mol
Exact Mass314.05
IUPAC Name2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole
SMILESFc1ccc(OC(F)(F)F)c(F)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C14H7F5N2O/c15-7-5-6-10(22-14(17,18)19)12(16)11(7)13-20-8-3-1-2-4-9(8)21-13/h1-6H,(H,20,21)
InChIKeyIJFWTXBTKUQUBI-UHFFFAOYSA-N
XLogP4.41
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole
CID 168555540
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554030
2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-1H-benzimidazole
CID 168555235
2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555718
2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552915
2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554031
2-(5-fluoro-1-benzothiophen-4-yl)-1H-benzimidazole
CID 168555432
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole
CID 89482987
6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
CID 168555282
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
CID 168554182
2-(2,6-difluoro-3-methylphenyl)-3H-benzimidazol-5-ol
CID 82815117

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole (CID 168555419) is 2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole is Fc1ccc(OC(F)(F)F)c(F)c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole?
The InChIKey is IJFWTXBTKUQUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5N2O/c15-7-5-6-10(22-14(17,18)19)12(16)11(7)13-20-8-3-1-2-4-9(8)21-13/h1-6H,(H,20,21).
What are the key properties of 2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole?
2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole has a molecular weight of 314.21 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-3-(trifluoromethoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168555419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).