5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine

C10H9BrF3N3S — CID 106431753

IUPAC5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(Br)ccc2n1CCSC(F)(F)F
InChIInChI=1S/C10H9BrF3N3S/c11-6-1-2-8-7(5-6)16-9(15)17(8)3-4-18-10(12,13)14/h1-2,5H,3-4H2,(H2,15,16)
InChIKeyXWANWAUDBHPKNQ-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.63
Rot. Bonds3

About 5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine

5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine (PubChem CID 106431753) has the molecular formula C10H9BrF3N3S and a molecular weight of 340.17 g/mol. Its IUPAC name is 5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
PubChem CID106431753
Molecular FormulaC10H9BrF3N3S
Molecular Weight340.17 g/mol
Exact Mass338.97
IUPAC Name5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cc(Br)ccc2n1CCSC(F)(F)F
InChIInChI=1S/C10H9BrF3N3S/c11-6-1-2-8-7(5-6)16-9(15)17(8)3-4-18-10(12,13)14/h1-2,5H,3-4H2,(H2,15,16)
InChIKeyXWANWAUDBHPKNQ-UHFFFAOYSA-N
XLogP3.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
CID 106431752
2-(trifluoromethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
CID 106432377
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
CID 114188217
5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine
CID 62616840
5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008382
2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea
CID 83114870
5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816938
5-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 80688565
5-bromo-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 63330148
5-bromo-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-amine
CID 82872876
5-bromo-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzimidazol-2-amine
CID 62117929
5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine
CID 115520874

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine (CID 106431753) is 5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine is Nc1nc2cc(Br)ccc2n1CCSC(F)(F)F.
What is the InChIKey of 5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine?
The InChIKey is XWANWAUDBHPKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3S/c11-6-1-2-8-7(5-6)16-9(15)17(8)3-4-18-10(12,13)14/h1-2,5H,3-4H2,(H2,15,16).
What are the key properties of 5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine?
5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine has a molecular weight of 340.17 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 106431753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).