5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole

C14H6F6N2 — CID 166873230

IUPAC5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESFc1cc2nc(-c3ccc(C(F)(F)F)c(F)c3)[nH]c2cc1F
InChIInChI=1S/C14H6F6N2/c15-8-3-6(1-2-7(8)14(18,19)20)13-21-11-4-9(16)10(17)5-12(11)22-13/h1-5H,(H,21,22)
InChIKeyQROBLKKILXHEBF-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.67
Rot. Bonds1

About 5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole

5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole (PubChem CID 166873230) has the molecular formula C14H6F6N2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole
PubChem CID166873230
Molecular FormulaC14H6F6N2
Molecular Weight316.20 g/mol
Exact Mass316.04
IUPAC Name5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESFc1cc2nc(-c3ccc(C(F)(F)F)c(F)c3)[nH]c2cc1F
InChIInChI=1S/C14H6F6N2/c15-8-3-6(1-2-7(8)14(18,19)20)13-21-11-4-9(16)10(17)5-12(11)22-13/h1-5H,(H,21,22)
InChIKeyQROBLKKILXHEBF-UHFFFAOYSA-N
XLogP4.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 60980278
5,6-difluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole
CID 166873743
4-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 135927902
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5,6-dimethoxy-1H-benzimidazole
CID 142742969
2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 54924199
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
2-(2,3-dihydro-1H-inden-5-yl)-5,6-difluoro-1H-benzimidazole
CID 60978770
6-bromo-2-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 64723741
5,6-dichloro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole-4,7-dione
CID 165129388
5,6-difluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole
CID 166873941
5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole
CID 166873259
5-bromo-6-fluoro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 79631520

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole?
The IUPAC name of 5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole (CID 166873230) is 5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole is Fc1cc2nc(-c3ccc(C(F)(F)F)c(F)c3)[nH]c2cc1F.
What is the InChIKey of 5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole?
The InChIKey is QROBLKKILXHEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F6N2/c15-8-3-6(1-2-7(8)14(18,19)20)13-21-11-4-9(16)10(17)5-12(11)22-13/h1-5H,(H,21,22).
What are the key properties of 5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole?
5,6-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole has a molecular weight of 316.20 g/mol, XLogP of 4.67, 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-fluoro-4-(trifluoromethyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 166873230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).