chempirical

5-Amino-2-(trifluoromethyl)benzimidazole

C8H6F3N3CAS 3671-66-7201.15 g/mol

Open in Covalent MOL file
H2NNFFFNH
Alkyl halidePrimary amine

Properties

Molecular formula
C8H6F3N3
Molar mass
201.15 g/mol
Exact mass
201.0514 Da
logP
2.16Crippen estimate
Polar surface area
54.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
3671-66-7
SMILES
Nc1ccc2nc(C(F)(F)F)[nH]c2c1
InChIKey
CKEKFQLHCAZGSP-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 1H-Benzimidazol-6-amine, 2-(trifluoromethyl)-
  • Benzimidazole, 5-amino-2-(trifluoromethyl)-
  • 1H-Benzimidazol-5-amine, 2-(trifluoromethyl)-
  • Benzimidazole, 5(or 6)-amino-2-(trifluoromethyl)-
  • 2-(Trifluoromethyl)-1H-benzimidazol-6-amine
  • 5-Amino-2-trifluoromethyl-1H-benzimidazole
  • 2-Trifluoromethyl-1H-benzoimidazole-5-amine
  • 2-Trifluoromethyl-1H-benzimidazol-5-ylamine
  • 2-(Trifluoromethyl)-3H-benzo[d]imidazol-5-amine
  • 2-(Trifluoromethyl)-1H-1,3-benzodiazol-5-amine
  • 2-(Trifluoromethyl)-3H-benzimidazol-5-amine
  • 2-(Trifluoromethyl)-1H-1,3-benzodiazol-6-amine

Work with 5-Amino-2-(trifluoromethyl)benzimidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Trifluoromethyl)-1H-benzimidazole312-73-257 % similar 5-Amino-2-mercaptobenzimidazole2818-66-854 % similar 5-Amino-2-benzimidazolinone95-23-854 % similar 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole327-19-553 % similar 5-Aminobenzimidazole934-22-542 % similar 2-(4-Aminophenyl)-5-aminobenzimidazole7621-86-540 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-338 % similar 3-Fluoro-4-(trifluoromethyl)aniline69411-68-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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