5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole

C14H7F5N2 — CID 60980278

IUPAC5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESFc1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1F
InChIInChI=1S/C14H7F5N2/c15-9-5-11-12(6-10(9)16)21-13(20-11)7-2-1-3-8(4-7)14(17,18)19/h1-6H,(H,20,21)
InChIKeyJTGAOGBHPYXGEK-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.53
Rot. Bonds1

About 5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole

5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole (PubChem CID 60980278) has the molecular formula C14H7F5N2 and a molecular weight of 298.21 g/mol. Its IUPAC name is 5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
PubChem CID60980278
Molecular FormulaC14H7F5N2
Molecular Weight298.21 g/mol
Exact Mass298.05
IUPAC Name5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESFc1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1F
InChIInChI=1S/C14H7F5N2/c15-9-5-11-12(6-10(9)16)21-13(20-11)7-2-1-3-8(4-7)14(17,18)19/h1-6H,(H,20,21)
InChIKeyJTGAOGBHPYXGEK-UHFFFAOYSA-N
XLogP4.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole?
The IUPAC name of 5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole (CID 60980278) is 5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole is Fc1cc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2cc1F.
What is the InChIKey of 5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole?
The InChIKey is JTGAOGBHPYXGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5N2/c15-9-5-11-12(6-10(9)16)21-13(20-11)7-2-1-3-8(4-7)14(17,18)19/h1-6H,(H,20,21).
What are the key properties of 5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole?
5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole has a molecular weight of 298.21 g/mol, XLogP of 4.53, 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-[3-(trifluoromethyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 60980278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).