chempirical

3-(4-(2-Butyl-1-(4-(4-chlorophenoxy)phenyl)-1H-imidazol-4-yl)phenoxy)-N,N-diethyl-1-propanamine

C32H38ClN3O2CAS 603148-36-3532.13 g/mol

Open in Covalent MOL file
NONNOCl
Aryl halideEtherTertiary amine

Properties

Molecular formula
C32H38ClN3O2
Molar mass
532.13 g/mol
Exact mass
531.2653 Da
logP
8.44Crippen estimate
Polar surface area
39.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
14

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
603148-36-3
SMILES
CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1
InChIKey
KJNNWYBAOPXVJY-UHFFFAOYSA-N
InChI
InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3

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Names and synonyms

5 names
  • 3-[4-[2-Butyl-1-[4-(4-chlorophenoxy)phenyl]-1H-imidazol-4-yl]phenoxy]-N,N-diethyl-1-propanamine
  • 1-Propanamine, 3-[4-[2-butyl-1-[4-(4-chlorophenoxy)phenyl]-1H-imidazol-4-yl]phenoxy]-N,N-diethyl-
  • N-[3-[4-[2-Butyl-1-[4-(4-chlorophenoxy)phenyl]-1H-imidazol-4-yl]phenoxy]propyl]-N,N-diethylamine
  • Azeliragon
  • TTP 448

Work with 3-(4-(2-Butyl-1-(4-(4-chlorophenoxy)phenyl)-1H-imidazol-4-yl)phenoxy)-N,N-diethyl-1-propanamine

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

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

Elsewhere

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