chempirical

(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

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

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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

1,2-Dimethylimidazole1739-84-045 % similar 2-Bromo-1-methyl-1H-imidazole16681-59-743 % similar Methimazole60-56-043 % similar 1-Methyl-1H-imidazole-2-carboxylic acid20485-43-240 % similar 2-Hydroxymethyl-1-methyl-5-nitroimidazole936-05-038 % similar 1-Methyl-1H-pyrazole-5-methanol84547-61-535 % similar Ethyl 1-methylimidazole-2-carboxylate30148-21-135 % similar 2-Pyrazinemethanol6705-33-534 % 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-methylimidazole29636-87-1 4,5-Dihydro-6-methyl-3(2H)-pyridazinone5157-08-4

Elsewhere

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