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

C5H8N2OCAS 17334-08-6112.13 g/mol

Open in Covalent MOL file
NNHO
Alcohol

Properties

Molecular formula
C5H8N2O
Molar mass
112.13 g/mol
Exact mass
112.0637 Da
logP
-0.09Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
17334-08-6
SMILES
CN1C=CN=C1CO
InChIKey
CDQDMLWGTVLQEE-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2O/c1-7-3-2-6-5(7)4-8/h2-3,8H,4H2,1H3

Weigh it out

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Work with (1-Methyl-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

1,1'-Dimethyl-1H,1'H-[2,2']biimidazolyl37570-94-848 % similar 1,2-Dimethylimidazole1739-84-045 % similar (1-Benzyl-1H-imidazol-2-yl)methanol5376-10-344 % similar 2-Bromo-1-methyl-1H-imidazole16681-59-743 % similar 2-Chloro-1-methyl-1H-imidazole253453-91-743 % similar 2-Iodo-1-methyl-1H-imidazole37067-95-143 % similar Methimazole60-56-043 % similar 1-Methyl-1H-imidazol-2-amine6646-51-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1-Methyl-1H-pyrazol-4-yl)methanol112029-98-8 4,5-Dimethyl-3-isoxazolamine13999-39-8 Ethyl N-cyanoacetimidate1558-82-3 Imidazole-1-ethanol1615-14-1 5-Amino-3,4-dimethylisoxazole19947-75-2 1,3-Dimethyl-5-pyrazolone2749-59-9 4-Hydroxymethyl-5-methyl-1H-imidazole29636-87-1 4-Amino-3,5-dimethylisoxazole31329-64-3

Elsewhere

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