2-Difluoromethyl-1H-benzoimidazole

C₈H₆F₂N₂CAS 705-09-9168.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆F₂N₂
Molar mass: 168.15 g/mol
Exact mass: 168.0499 Da
logP: 2.50Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

705-09-9

SMILES

C1=CC=C2C(=C1)NC(=N2)C(F)F

InChIKey

PURNIHSRWGYONZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)

Weigh it out

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Names and synonyms

1 names

2-(Difluoromethyl)-1H-1,3-benzodiazole

Work with 2-Difluoromethyl-1H-benzoimidazole

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-Isopropylbenzimidazole5851-43-461 % similar α-Methyl-1H-benzimidazole-2-methanol19018-24-756 % similar 2-(4-Piperidinyl)-1H-benzimidazole38385-95-453 % similar 2-Phenylbenzimidazole716-79-048 % similar 2-(Trifluoromethyl)-1H-benzimidazole312-73-247 % similar 2,6-Bis(2-benzimidazolyl)pyridine28020-73-747 % similar 2-Chlorobenzimidazole4857-06-147 % similar 2-Bromo-1H-benzimidazole54624-57-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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