chempirical

Afobazole

C15H21N3O2SCAS 173352-21-1307.41 g/mol

Open in Covalent MOL file
ONSNONH
EtherSulfideTertiary amine

Properties

Molecular formula
C15H21N3O2S
Molar mass
307.41 g/mol
Exact mass
307.1354 Da
logP
2.39Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
6

Identifiers

CAS number
173352-21-1
SMILES
CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1
InChIKey
WWNUCVSRRUDYPP-UHFFFAOYSA-N
InChI
InChI=1S/C15H21N3O2S/c1-2-20-12-3-4-13-14(11-12)17-15(16-13)21-10-7-18-5-8-19-9-6-18/h3-4,11H,2,5-10H2,1H3,(H,16,17)

Weigh it out

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

Names and synonyms

7 names
  • 1H-Benzimidazole, 6-ethoxy-2-[[2-(4-morpholinyl)ethyl]thio]-
  • 1H-Benzimidazole, 5-ethoxy-2-[[2-(4-morpholinyl)ethyl]thio]-
  • 6-Ethoxy-2-[[2-(4-morpholinyl)ethyl]thio]-1H-benzimidazole
  • CM 346
  • Afobazol
  • Aphobazole
  • Fabomotizole

Work with Afobazole

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

5-Ethoxy-2-mercaptobenzimidazole55489-15-151 % similar Bisbenzimide23491-52-339 % similar Omeprazole sulfide73590-85-937 % similar 6-Ethoxy-2-methylquinoline6628-28-036 % similar Oxibendazole20559-55-135 % similar 6-Ethoxy-2-mercaptobenzothiazole120-53-635 % similar 2-[[(4-Chloro-3-methoxy-2-pyridinyl)methyl]thio]-6-(difluoromethoxy)-1H-benzimidazole368890-20-434 % similar 5-Ethoxy-1H-indole10501-17-433 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook