5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole

C13H5F5N2 — CID 65100266

IUPAC5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole
SMILESFc1cc(F)c(-c2nc3cc(F)c(F)cc3[nH]2)c(F)c1
InChIInChI=1S/C13H5F5N2/c14-5-1-8(17)12(9(18)2-5)13-19-10-3-6(15)7(16)4-11(10)20-13/h1-4H,(H,19,20)
InChIKeyISZGOQZXZSPQLZ-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.93
Rot. Bonds1

About 5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole

5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole (PubChem CID 65100266) has the molecular formula C13H5F5N2 and a molecular weight of 284.19 g/mol. Its IUPAC name is 5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole
PubChem CID65100266
Molecular FormulaC13H5F5N2
Molecular Weight284.19 g/mol
Exact Mass284.04
IUPAC Name5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole
SMILESFc1cc(F)c(-c2nc3cc(F)c(F)cc3[nH]2)c(F)c1
InChIInChI=1S/C13H5F5N2/c14-5-1-8(17)12(9(18)2-5)13-19-10-3-6(15)7(16)4-11(10)20-13/h1-4H,(H,19,20)
InChIKeyISZGOQZXZSPQLZ-UHFFFAOYSA-N
XLogP3.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4,6-trifluorophenyl)-3H-imidazo[4,5-c]pyridine
CID 65100267
2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004638
4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
5-bromo-6-fluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 79631045
5-bromo-2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 79631134
2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole
CID 82772918
3-(5,6-difluoro-1H-benzimidazol-2-yl)-4-fluoroaniline
CID 60835368
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
2-(2,4,6-trifluorophenyl)-1H-imidazo[4,5-b]pyridine
CID 65100220
5,6-difluoro-N-methyl-1H-benzimidazol-2-amine
CID 175083308
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-3-methylaniline
CID 79631596

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole?
The IUPAC name of 5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole (CID 65100266) is 5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole?
The canonical SMILES for 5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole is Fc1cc(F)c(-c2nc3cc(F)c(F)cc3[nH]2)c(F)c1.
What is the InChIKey of 5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole?
The InChIKey is ISZGOQZXZSPQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F5N2/c14-5-1-8(17)12(9(18)2-5)13-19-10-3-6(15)7(16)4-11(10)20-13/h1-4H,(H,19,20).
What are the key properties of 5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole?
5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole has a molecular weight of 284.19 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole is sourced from PubChem (CID 65100266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).