chempirical

2-Butyl-4-chloro-5-formylimidazole

C8H11ClN2OCAS 83857-96-9186.64 g/mol

Open in Covalent MOL file
NOClHN
AldehydeAryl halide

Properties

Molecular formula
C8H11ClN2O
Molar mass
186.64 g/mol
Exact mass
186.0560 Da
Melting point
93 °C
logP
2.22Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
83857-96-9
SMILES
CCCCc1nc(C=O)c(Cl)[nH]1
InChIKey
JLVIHQCWASNXCK-UHFFFAOYSA-N
InChI
InChI=1S/C8H11ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

16 names · show all
  • 1H-Imidazole-4-carboxaldehyde, 2-butyl-5-chloro-
  • 2-Butyl-5-chloro-1H-imidazole-4-carboxaldehyde
  • 2-Butyl-5-chloroimidazole-4-carboxaldehyde
  • 2-Butyl-4-chloroimidazole-5-carboxaldehyde
  • 2-Butyl-5-formyl-4-chloroimidazole
  • 2-n-Butyl-4-chloro-5-imidazolecarboxaldehyde
  • 2-Butyl-4-chloroimidazole-5-carbaldehyde
  • 2-n-Butyl-5-chlorimidazole-4-carbaldehyde
  • 2-Butyl-5-chloroimidazole-4-carbaldehyde
  • 2-Butyl-4-chloro-1H-imidazolyl-5-carboxaldehyde
  • 2-Butyl-5-chloro-3H-imidazole-4-carboxaldehyde
  • 2-Butyl-4-chloro-1H-imidazole-5-carboxaldehyde
  • 4-Chloro-2-n-butylimidazole-5-carboxaldehyde
  • 2-Butyl-5-chloro-4-formylimidazole
  • 2-Butyl-4-chloro-1H-imidazole-5-carbaldehyde
  • 2-Butyl-5-chloro-1H-imidazole-4-carbaldehyde

Work with 2-Butyl-4-chloro-5-formylimidazole

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-5-chloro-1H-imidazole-4-methanol79047-41-954 % similar 2-Butyl-1H-imidazole-5-carboxaldehyde68282-49-548 % similar 2-Pentyl-1H-benzimidazole5851-46-739 % similar 2-Propyl-1H-benzimidazole5465-29-232 % similar 2-Propyl-1H-imidazole-4,5-dicarboxylic acid dimethyl ester124750-59-030 % similar

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

Same formula

N-(3-Aminophenyl)acetamide hydrochloride621-35-2

Elsewhere

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