chempirical

Climbazole

C15H17ClN2O2CAS 38083-17-9292.76 g/mol

Open in Covalent MOL file
OOClNN
Aryl halideEtherKetone

Properties

Molecular formula
C15H17ClN2O2
Molar mass
292.76 g/mol
Exact mass
292.0979 Da
logP
3.73Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
38083-17-9
SMILES
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1
InChIKey
OWEGWHBOCFMBLP-UHFFFAOYSA-N
InChI
InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • 2-Butanone, 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl-
  • 1-(4-Chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl-2-butanone
  • 1-[(4-Chlorophenoxy)(tert-butylcarbonyl)methyl]imidazole
  • BAY-e 6975
  • Baypival
  • Crinipan AD
  • 1-(4-Chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethylbutan-2-one
  • Diazolone

Work with Climbazole

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

Triadimefon43121-43-365 % similar 2-(4-Chlorophenoxy)propionic acid3307-39-938 % similar Clofop26129-32-836 % similar Triadimenol55219-65-336 % similar Clofibric acid882-09-733 % similar 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone66346-01-833 % similar 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone46503-52-031 % similar Clofibrate637-07-031 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook