5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole

C13H6F5N3 — CID 166873743

IUPAC5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole
SMILESFc1cc2nc(-c3ccnc(C(F)(F)F)c3)[nH]c2cc1F
InChIInChI=1S/C13H6F5N3/c14-7-4-9-10(5-8(7)15)21-12(20-9)6-1-2-19-11(3-6)13(16,17)18/h1-5H,(H,20,21)
InChIKeyANKJLGADYOLYIQ-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.92
Rot. Bonds1

About 5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole

5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole (PubChem CID 166873743) has the molecular formula C13H6F5N3 and a molecular weight of 299.20 g/mol. Its IUPAC name is 5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole
PubChem CID166873743
Molecular FormulaC13H6F5N3
Molecular Weight299.20 g/mol
Exact Mass299.05
IUPAC Name5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole
SMILESFc1cc2nc(-c3ccnc(C(F)(F)F)c3)[nH]c2cc1F
InChIInChI=1S/C13H6F5N3/c14-7-4-9-10(5-8(7)15)21-12(20-9)6-1-2-19-11(3-6)13(16,17)18/h1-5H,(H,20,21)
InChIKeyANKJLGADYOLYIQ-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 166873230
5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 60980278
4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 54924199
5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 166873941
2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole
CID 60978770
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
6-fluoro-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-5-amine
CID 166873909
6-fluoro-2-(2-methyl-4-pyridinyl)-1H-benzimidazole
CID 106753306
5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole
CID 65100266
5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole
CID 166873259
5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol
CID 63852563

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole?
The IUPAC name of 5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole (CID 166873743) is 5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole is Fc1cc2nc(-c3ccnc(C(F)(F)F)c3)[nH]c2cc1F.
What is the InChIKey of 5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole?
The InChIKey is ANKJLGADYOLYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F5N3/c14-7-4-9-10(5-8(7)15)21-12(20-9)6-1-2-19-11(3-6)13(16,17)18/h1-5H,(H,20,21).
What are the key properties of 5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole?
5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole has a molecular weight of 299.20 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 166873743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).