3-[6-(Trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol

C₁₁H₁₁F₃N₂OCAS 175135-15-6244.22 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₁₁H₁₁F₃N₂O
Molar mass: 244.22 g/mol
Exact mass: 244.0823 Da
logP: 2.51Crippen estimate
Polar surface area: 48.9 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

175135-15-6

SMILES

C1=CC2=C(C=C1C(F)(F)F)NC(=N2)CCCO

InChIKey

FDRMNTVCDKSRNL-UHFFFAOYSA-N

InChI

InChI=1S/C11H11F3N2O/c12-11(13,14)7-3-4-8-9(6-7)16-10(15-8)2-1-5-17/h3-4,6,17H,1-2,5H2,(H,15,16)

Weigh it out

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

Names and synonyms

1 names

2-(3-Hydroxy-N-propyl)-5-(trifluoromethyl)-benzimidazole

Work with 3-[6-(Trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol

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

3-[4-Bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol175135-16-756 % similar 1H-Benzimidazole-2-propanol2403-66-956 % similar 3-(Trifluoromethyl)benzenepropanol78573-45-248 % similar Pf-47086711255517-76-041 % similar 5-Amino-2-(trifluoromethyl)benzimidazole3671-66-740 % similar 2-(Hydroxymethyl)-5-bromo-1H-benzoimidazole540516-28-738 % similar 2-Pentyl-1H-benzimidazole5851-46-738 % similar 2-Heptylbenzimidazole5851-49-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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