Basic information
- CAS
3276-08-2- Standard SMILES
CCCOc1ccc(Sc2nc3ccccc3n2CCN(CC)CC)cc1- InChIKey
SVSKHQJLSBLNFL-UHFFFAOYSA-N- Molecular formula
- C22H29N3OS
- Average molar mass
- 383.6 g/mol
- Monoisotopic mass
- 383.20313373
Names & identifiers
- Preferred name
- Benzimidazole, 1-(2-(diethylamino)ethyl)-2-((p-propoxyphenyl)thio)-
- IUPAC
- N,N-diethyl-2-[2-(4-propoxyphenyl)sulfanylbenzimidazol-1-yl]ethanamine
Names & synonyms
BRN 0899956BENZIMIDAZOLE, 1-(2-(DIETHYLAMINO)ETHYL)-2-((p-PROPOXYPHENYL)THIO)-DTXSID301864273276-08-21-(2-(Diethylamino)ethyl)-2-((p-propoxyphenyl)thio)benzimidazole5-23-11-00294 (Beilstein Handbook Reference)RefChem:325800DTXCID40108918N,N-Diethyl-2-{2-[(4-propoxyphenyl)sulfanyl]-1H-1,3-benzimidazol-1-yl}ethan-1-amine
Database identifiers
- CAS
3276-08-2- PubChem CID
- 18655
- DTXSID
DTXSID30186427
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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