5-Amino-2-(trifluoromethyl)benzimidazole

C₈H₆F₃N₃CAS 3671-66-7201.15 g/mol

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Alkyl halide Primary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 2,2'-Bis(trifluoromethyl)benzidine341-58-241 % similar 3-[6-(Trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol175135-15-640 % similar 2-(4-Aminophenyl)-5-aminobenzimidazole7621-86-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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