1-Benzylimidazole
Properties
- Molecular formula
- C10H10N2
- Molar mass
- 158.20 g/mol
- Exact mass
- 158.0844 Da
- Melting point
- 68–70 °C
- Boiling point
- 310 °C
- logP
- 1.93Crippen estimate
- Polar surface area
- 17.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation85.7% of notifiers
Aggregated from 7 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
4238-71-5SMILES
c1ccc(Cn2ccnc2)cc1InChIKey
KKKDZZRICRFGSD-UHFFFAOYSA-NInChI
InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 1H-Imidazole, 1-(phenylmethyl)-
- Imidazole, 1-benzyl-
- 1-(Phenylmethyl)-1H-imidazole
- N-Benzylimidazole
- 1-Benzyl-1H-imidazole
- CDD 3500
- NSC 126828
- NSC 217337
Work with 1-Benzylimidazole
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
1,4-Bis(imidazole-L-ylmethyl)benzene56643-83-580 % similar
1-(2-Phenylethyl)-1H-imidazole49823-14-569 % similar
N-Benzylpyrrole2051-97-056 % similar
Ozagrel82571-53-748 % similar
3-(1H-Pyrrol-1-ylmethyl)pyridine80866-95-145 % similar
1-Phenylimidazole7164-98-945 % similar
Ozagrel sodium130952-46-444 % similar
Ozagrel sodium189224-26-844 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds