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

C11H12F3N3S — CID 114188217

IUPAC2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CCSC(F)(F)F
InChIInChI=1S/C11H12F3N3S/c1-7-16-9-6-8(15)2-3-10(9)17(7)4-5-18-11(12,13)14/h2-3,6H,4-5,15H2,1H3
InChIKeyBNPDYSNMZYNQGM-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.18
Rot. Bonds3

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

2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine (PubChem CID 114188217) has the molecular formula C11H12F3N3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
PubChem CID114188217
Molecular FormulaC11H12F3N3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CCSC(F)(F)F
InChIInChI=1S/C11H12F3N3S/c1-7-16-9-6-8(15)2-3-10(9)17(7)4-5-18-11(12,13)14/h2-3,6H,4-5,15H2,1H3
InChIKeyBNPDYSNMZYNQGM-UHFFFAOYSA-N
XLogP3.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(trifluoromethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
CID 106432377
3-[2-(5-amino-2-methylbenzimidazol-1-yl)ethylsulfanyl]propan-1-ol
CID 106305112
5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
CID 106431753
6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
CID 107849624
2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol
CID 62499134
1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride
CID 51051984
2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine
CID 62506548
2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine
CID 114101961
6-chloro-5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
CID 106431752
2-methylbenzimidazole-1,5-diamine
CID 83418174
1-[2-(2,4-dichlorophenyl)ethyl]-2-methylbenzimidazol-5-amine
CID 62507980
4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol
CID 106248081

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine?
The IUPAC name of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine (CID 114188217) is 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine?
The canonical SMILES for 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine is Cc1nc2cc(N)ccc2n1CCSC(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine?
The InChIKey is BNPDYSNMZYNQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3S/c1-7-16-9-6-8(15)2-3-10(9)17(7)4-5-18-11(12,13)14/h2-3,6H,4-5,15H2,1H3.
What are the key properties of 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine?
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine has a molecular weight of 275.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine is sourced from PubChem (CID 114188217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).