chempirical

2-Butyl-5-chloro-1H-imidazole-4-methanol

C8H13ClN2OCAS 79047-41-9188.66 g/mol

Open in Covalent MOL file
NOHClHN
AlcoholAryl halide

Properties

Molecular formula
C8H13ClN2O
Molar mass
188.66 g/mol
Exact mass
188.0716 Da
logP
1.90Crippen estimate
Polar surface area
48.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
79047-41-9
SMILES
CCCCc1nc(CO)c(Cl)[nH]1
InChIKey
DXSZKDOOHOBZMT-UHFFFAOYSA-N
InChI
InChI=1S/C8H13ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h12H,2-5H2,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

8 names
  • 1H-Imidazole-4-methanol, 2-butyl-5-chloro-
  • 2-Butyl-4-chloro-5-(hydroxymethyl)imidazole
  • 2-Butyl-5-chloroimidazole-4-methanol
  • 2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazole
  • 2-n-Butyl-4-chloro-5-(hydroxymethyl)imidazole
  • 5-Chloro-2-butylimidazole-4-methanol
  • (2-Butyl-4-chloro-1H-imidazol-5-yl)methanol
  • (2-Butyl-5-chloro-1H-imidazol-4-yl)methanol

Work with 2-Butyl-5-chloro-1H-imidazole-4-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

2-Butyl-4-chloro-5-formylimidazole83857-96-954 % similar 2-Pentyl-1H-benzimidazole5851-46-740 % similar 2-Butyl-1H-imidazole-5-carboxaldehyde68282-49-533 % similar 2-Propyl-1H-benzimidazole5465-29-233 % similar 1H-Benzimidazole-2-propanol2403-66-931 % similar 1-Butyl-4-chlorobenzene15499-27-130 % similar

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

Same formula

3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride1173081-96-3 (4-Methoxybenzyl)hydrazine hydrochloride2011-48-5

Elsewhere

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