6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine

C10H8ClF4N3S — CID 106431752

IUPAC6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(F)c(Cl)cc2n1CCSC(F)(F)F
InChIInChI=1S/C10H8ClF4N3S/c11-5-3-8-7(4-6(5)12)17-9(16)18(8)1-2-19-10(13,14)15/h3-4H,1-2H2,(H2,16,17)
InChIKeyLTFLVEBQCOUTGH-UHFFFAOYSA-N
MW313.71 g/mol
LogP3.66
Rot. Bonds3

About 6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine

6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine (PubChem CID 106431752) has the molecular formula C10H8ClF4N3S and a molecular weight of 313.71 g/mol. Its IUPAC name is 6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
PubChem CID106431752
Molecular FormulaC10H8ClF4N3S
Molecular Weight313.71 g/mol
Exact Mass313.01
IUPAC Name6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(F)c(Cl)cc2n1CCSC(F)(F)F
InChIInChI=1S/C10H8ClF4N3S/c11-5-3-8-7(4-6(5)12)17-9(16)18(8)1-2-19-10(13,14)15/h3-4H,1-2H2,(H2,16,17)
InChIKeyLTFLVEBQCOUTGH-UHFFFAOYSA-N
XLogP3.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-fluoro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520923
5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
CID 106431753
6-chloro-1-(2-ethylsulfinylethyl)-5-fluorobenzimidazol-2-amine
CID 114089476
5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine
CID 66078119
6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406198
5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine
CID 66078679
2-(trifluoromethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
CID 106432377
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
CID 114188217
5-chloro-6-fluoro-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326375
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008434
5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine
CID 66076958

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine (CID 106431752) is 6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine is Nc1nc2cc(F)c(Cl)cc2n1CCSC(F)(F)F.
What is the InChIKey of 6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine?
The InChIKey is LTFLVEBQCOUTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4N3S/c11-5-3-8-7(4-6(5)12)17-9(16)18(8)1-2-19-10(13,14)15/h3-4H,1-2H2,(H2,16,17).
What are the key properties of 6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine?
6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine has a molecular weight of 313.71 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 106431752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).