Basic information
- CAS
74022-48-3- Standard SMILES
COc1cc2nc(SCCCN(C)C)[nH]c2cc1OC- InChIKey
XVRQTGMNLJXGJF-UHFFFAOYSA-N- Molecular formula
- C14H21N3O2S
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.13544809
Names & identifiers
- Preferred name
- Benzimidazole, 5,6-dimethoxy-2-((3-dimethylaminopropyl)thio)-
- IUPAC
- 3-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-dimethylpropan-1-amine
Names & synonyms
BRN 5056062BENZIMIDAZOLE, 5,6-DIMETHOXY-2-((3-DIMETHYLAMINOPROPYL)THIO)-2-(gamma-Dimethylaminopropylthio)-5,6-dimethoxybenzimidazole74022-48-3DTXSID50224830RefChem:325926DTXCID801473213-[(5,6-Dimethoxy-1H-1,3-benzimidazol-2-yl)sulfanyl]-N,N-dimethylpropan-1-amine
Database identifiers
- CAS
74022-48-3- PubChem CID
- 52865
- DTXSID
DTXSID50224830- Nikkaji
- J69.208E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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