2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C13H6BrF3N2S14 — CID 157123824

IUPAC2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESFc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)c(Br)c1.S=S=S=S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C13H6BrF3N2.S14/c14-8-3-6(15)1-2-7(8)13-18-11-4-9(16)10(17)5-12(11)19-13;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1-5H,(H,18,19);
InChIKeyAIHCCKDZHYPFBJ-UHFFFAOYSA-N
MW776.04 g/mol
LogP4.38
Rot. Bonds1

About 2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 157123824) has the molecular formula C13H6BrF3N2S14 and a molecular weight of 776.04 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
PubChem CID157123824
Molecular FormulaC13H6BrF3N2S14
Molecular Weight776.04 g/mol
Exact Mass773.58
IUPAC Name2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESFc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)c(Br)c1.S=S=S=S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C13H6BrF3N2.S14/c14-8-3-6(15)1-2-7(8)13-18-11-4-9(16)10(17)5-12(11)19-13;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1-5H,(H,18,19);
InChIKeyAIHCCKDZHYPFBJ-UHFFFAOYSA-N
XLogP4.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500776.04
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane 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

2-(2-bromo-4-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455930
2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole
CID 114373862
2-(2-bromo-4-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62069158
5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole
CID 78912108
5,6-dichloro-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939532
5-bromo-2-(5-chloro-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 79631329
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
3-(5,6-difluoro-1H-benzimidazol-2-yl)-4-fluoroaniline
CID 60835368
2-(4-fluoro-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 112688356
2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 114020270
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 43470869

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 157123824) is 2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is Fc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)c(Br)c1.S=S=S=S=S=S=S=S=S=S=S=S=S=S.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The InChIKey is AIHCCKDZHYPFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF3N2.S14/c14-8-3-6(15)1-2-7(8)13-18-11-4-9(16)10(17)5-12(11)19-13;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1-5H,(H,18,19);.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 776.04 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-5,6-difluoro-1H-benzimidazole;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 157123824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).