chempirical

(1-Benzyl-1H-imidazol-2-yl)methanol

C11H12N2OCAS 5376-10-3188.23 g/mol

Open in Covalent MOL file
NNHO
Alcohol

Properties

Molecular formula
C11H12N2O
Molar mass
188.23 g/mol
Exact mass
188.0950 Da
logP
1.42Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5376-10-3
SMILES
C1=CC=C(C=C1)CN2C=CN=C2CO
InChIKey
SGIKRGDBBXWNRI-UHFFFAOYSA-N
InChI
InChI=1S/C11H12N2O/c14-9-11-12-6-7-13(11)8-10-4-2-1-3-5-10/h1-7,14H,8-9H2

Weigh it out

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

Work with (1-Benzyl-1H-imidazol-2-yl)methanol

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-2-(chloromethyl)imidazole hydrochloride19276-03-061 % similar 1-Benzyl-2-methylimidazole13750-62-456 % similar (1-Methyl-1H-imidazol-2-yl)methanol17334-08-644 % similar Benzyl alcohol100-51-642 % similar 1-Benzylindole3377-71-739 % similar 1-Benzylimidazole4238-71-539 % similar N-Benzylpyrrole2051-97-038 % similar 2-Pyridinemethanol586-98-136 % similar

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

Same formula

Antipyrine60-80-0 (-)-Vasicine6159-55-3 1-p-Tolyl-3-methyl-5-pyrazolone86-92-0 3-[(4-Formylphenyl)methylamino]propanenitrile94-21-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook