2-Isopropylbenzimidazole

C₁₀H₁₂N₂CAS 5851-43-4160.22 g/mol

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Properties

Molecular formula: C₁₀H₁₂N₂
Molar mass: 160.22 g/mol
Exact mass: 160.1000 Da
Melting point: 223–225 °C
Boiling point: 180 °C
logP: 2.69Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5851-43-4

SMILES

CC(C)c1nc2ccccc2[nH]1

InChIKey

RITUGMAIQCZEOG-UHFFFAOYSA-N

InChI

InChI=1S/C10H12N2/c1-7(2)10-11-8-5-3-4-6-9(8)12-10/h3-7H,1-2H3,(H,11,12)

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Names and synonyms

6 names

1H-Benzimidazole, 2-(1-methylethyl)-
Benzimidazole, 2-isopropyl-
2-(1-Methylethyl)-1H-benzimidazole
2-Isopropyl-1H-benzimidazole
2-Propan-2-yl-1H-benzimidazole
2-(Propan-2-yl)-1H-1,3-benzodiazole

Work with 2-Isopropylbenzimidazole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

α-Methyl-1H-benzimidazole-2-methanol19018-24-766 % similar 2-Difluoromethyl-1H-benzoimidazole705-09-961 % similar 2-(4-Piperidinyl)-1H-benzimidazole38385-95-453 % similar 2-Chlorobenzimidazole4857-06-152 % similar 2-Methylbenzimidazole615-15-652 % similar 2-Ethylbenzimidazole1848-84-648 % similar 2-Phenylbenzimidazole716-79-048 % similar 2-(2′-Pyridyl)benzimidazole1137-68-447 % similar

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

Same formula

2-(4-Aminophenyl)-2-methylpropanenitrile115279-57-7 (R,S)-Anatabine2743-90-0 3-[(3-Methylphenyl)amino]propanenitrile27618-25-3 2,5,6-Trimethylbenzimidazole3363-56-2 2-Propyl-1H-benzimidazole5465-29-2 1-Ethyl-2-methyl-1H-benzimidazole5805-76-5 Tolazoline59-98-3 Tryptamine61-54-1

Elsewhere

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