2H-Benzimidazol-2-imine, 1,3-dihydro-1-((heptyloxy)methyl)-3-methyl-, monohydrochloride
Basic information
- CAS
63658-99-1- Standard SMILES
CCCCCCCOCn1c(=N)n(C)c2ccccc21.Cl- InChIKey
DYUUDBRFZREIRF-UHFFFAOYSA-N- Molecular formula
- C16H26ClN3O
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1764402
Names & identifiers
- Preferred name
- 2H-Benzimidazol-2-imine, 1,3-dihydro-1-((heptyloxy)methyl)-3-methyl-, monohydrochloride
- IUPAC
- 1-(heptoxymethyl)-3-methylbenzimidazol-2-imine;hydrochloride
Names & synonyms
1,3-Dihydro-1-((heptyloxy)methyl)-3-methyl-2H-benzimidazol-2-imine hydrochloride63658-99-12H-Benzimidazol-2-imine, 1,3-dihydro-1-((heptyloxy)methyl)-3-methyl-, monohydrochlorideRefChem:268465DTXSID509798731-[(Heptyloxy)methyl]-3-methyl-1,3-dihydro-2H-1,3-benzimidazol-2-imine--hydrogen chloride (1/1)1-[(Heptyloxy)methyl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-imine--hydrogen chloride (1/1)
Database identifiers
- CAS
63658-99-1- PubChem CID
- 3047486
- DTXSID
DTXSID50979873
Properties
Computed structural properties
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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