1-(2-Phenylethyl)-1H-imidazole

C₁₁H₁₂N₂CAS 49823-14-5172.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₂N₂
Molar mass: 172.23 g/mol
Exact mass: 172.1000 Da
logP: 2.13Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

49823-14-5

SMILES

C1=CC=C(C=C1)CCN2C=CN=C2

InChIKey

SSENHTOBLYRWKU-UHFFFAOYSA-N

InChI

InChI=1S/C11H12N2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-13/h1-5,7,9-10H,6,8H2

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Names and synonyms

1 names

1-Phenethylimidazole

Work with 1-(2-Phenylethyl)-1H-imidazole

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-Benzylimidazole4238-71-569 % similar 1,4-Bis(imidazole-L-ylmethyl)benzene56643-83-553 % similar Imidazole-1-ethanol1615-14-148 % similar 1-Propylimidazole35203-44-248 % similar Butylimidazole4316-42-145 % similar 1H-Imidazole-1-propanamine5036-48-645 % similar 1-Phenylimidazole7164-98-944 % similar 4-(3-Phenylpropyl)pyridine2057-49-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dimethyl-1-phenylpyrazole1131-16-4 1-Benzyl-2-methylimidazole13750-62-4 Tryptoline16502-01-5 2,3,6-Trimethylquinoxaline17635-21-1 1H,2H,3H,4H,5H-Pyrido[4,3-b]indole6208-60-2

Elsewhere

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