1-Benzyl-2-methylimidazole

C₁₁H₁₂N₂CAS 13750-62-4172.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₂N₂
Molar mass: 172.23 g/mol
Exact mass: 172.1000 Da
Boiling point: 125–127 °C (at 3 Torr)
logP: 2.24Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed15% of notifiers
H302 Harmful if swallowed77.6% of notifiers
H315 Causes skin irritation99.1% of notifiers
H318 Causes serious eye damage25.2% of notifiers
H319 Causes serious eye irritation73.8% of notifiers
H335 May cause respiratory irritation85% of notifiers

Aggregated from 107 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13750-62-4

SMILES

Cc1nccn1Cc1ccccc1

InChIKey

FBHPRUXJQNWTEW-UHFFFAOYSA-N

InChI

InChI=1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3

Weigh it out

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

Names and synonyms

13 names · show all

1H-Imidazole, 2-methyl-1-(phenylmethyl)-
Imidazole, 1-benzyl-2-methyl-
2-Methyl-1-(phenylmethyl)-1H-imidazole
N-Benzyl-2-methylimidazole
Curezol 1B2MZ
1B2MZ
2-Methyl-N-benzylimidazole
Epicure BMI 12
1-Benzyl-2-methyl-1H-imidazole
JER Cure BMI 12
Texnol BEM 12
1-Phenylmethyl-2-methylimidazole
BMI 12

Work with 1-Benzyl-2-methylimidazole

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

(1-Benzyl-1H-imidazol-2-yl)methanol5376-10-356 % similar N-Ethyl-2-methylimidazole21202-52-853 % similar 1-Benzyl-2-(chloromethyl)imidazole hydrochloride19276-03-051 % similar 1-Propyl-2-methylimidazole33214-18-550 % similar 1-Cyanoethyl-2-methylimidazole23996-55-649 % similar 2-Methyl-1H-imidazole-1-ethanol1615-15-249 % similar 1-Butyl-2-methyl-1H-imidazole13435-22-847 % similar 2-Methyl-1H-imidazole-1-propanamine2258-21-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dimethyl-1-phenylpyrazole1131-16-4 Tryptoline16502-01-5 2,3,6-Trimethylquinoxaline17635-21-1 1-(2-Phenylethyl)-1H-imidazole49823-14-5 1H,2H,3H,4H,5H-Pyrido[4,3-b]indole6208-60-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook