6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole

C21H11F6N5 — CID 86076167

IUPAC6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)n3)[nH]c2c1
InChIInChI=1S/C21H11F6N5/c22-20(23,24)10-4-6-12-16(8-10)31-18(29-12)14-2-1-3-15(28-14)19-30-13-7-5-11(21(25,26)27)9-17(13)32-19/h1-9H,(H,29,31)(H,30,32)
InChIKeyOYUXDDAMDLNZTO-UHFFFAOYSA-N
MW447.34 g/mol
LogP6.21
Rot. Bonds2

About 6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole

6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole (PubChem CID 86076167) has the molecular formula C21H11F6N5 and a molecular weight of 447.34 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
PubChem CID86076167
Molecular FormulaC21H11F6N5
Molecular Weight447.34 g/mol
Exact Mass447.09
IUPAC Name6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)n3)[nH]c2c1
InChIInChI=1S/C21H11F6N5/c22-20(23,24)10-4-6-12-16(8-10)31-18(29-12)14-2-1-3-15(28-14)19-30-13-7-5-11(21(25,26)27)9-17(13)32-19/h1-9H,(H,29,31)(H,30,32)
InChIKeyOYUXDDAMDLNZTO-UHFFFAOYSA-N
XLogP6.21
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.34
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455824
N-(2,6-dimethylphenyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-amine
CID 11740969
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
CID 23085660
2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 112730249

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole?
The IUPAC name of 6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole (CID 86076167) is 6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole is FC(F)(F)c1ccc2nc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)n3)[nH]c2c1.
What is the InChIKey of 6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole?
The InChIKey is OYUXDDAMDLNZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F6N5/c22-20(23,24)10-4-6-12-16(8-10)31-18(29-12)14-2-1-3-15(28-14)19-30-13-7-5-11(21(25,26)27)9-17(13)32-19/h1-9H,(H,29,31)(H,30,32).
What are the key properties of 6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole?
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole has a molecular weight of 447.34 g/mol, XLogP of 6.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 86076167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).