1-Butyl-2-methyl-1H-imidazole

C₈H₁₄N₂CAS 13435-22-8138.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₄N₂
Molar mass: 138.21 g/mol
Exact mass: 138.1157 Da
logP: 1.99Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

13435-22-8

SMILES

CCCCn1ccnc1C

InChIKey

WHLZPGRDRYCVRQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H14N2/c1-3-4-6-10-7-5-9-8(10)2/h5,7H,3-4,6H2,1-2H3

Weigh it out

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

Names and synonyms

8 names

1H-Imidazole, 1-butyl-2-methyl-
Imidazole, 1-butyl-2-methyl-
1-Butyl-2-methylimidazole
1-n-Butyl-2-methylimidazole
N-Butyl-2-methylimidazole
NH 119
NSC 200686
1-n-Butyl-2-methyl-1H-imidazole

Work with 1-Butyl-2-methyl-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

2-Methyl-1H-imidazole-1-propanamine2258-21-166 % similar 2-Methyl-1H-imidazole-1-ethanol1615-15-259 % similar 1-Cyanoethyl-2-methylimidazole23996-55-654 % similar 1-Benzyl-2-methylimidazole13750-62-447 % similar 1,2-Dimethylimidazole1739-84-041 % similar Butylimidazole4316-42-140 % similar Imidafenacin170105-16-540 % similar 2-Methyl-1-(1-methylethyl)-1H-imidazole84606-45-137 % similar

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

Same formula

1-Piperidinepropanenitrile3088-41-3 1-Pyrrolidinebutanenitrile35543-25-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook