2H-Benzimidazol-2-imine, 1,3-dihydro-1-methyl-3-((octyloxy)methyl)-, monohydrochloride
Basic information
- CAS
63659-00-7- Standard SMILES
CCCCCCCCOCn1c(=N)n(C)c2ccccc21.Cl- InChIKey
GPQFZKOMMAVOQO-UHFFFAOYSA-N- Molecular formula
- C17H28ClN3O
- Average molar mass
- 325.9 g/mol
- Monoisotopic mass
- 325.1920902
Names & identifiers
- Preferred name
- 2H-Benzimidazol-2-imine, 1,3-dihydro-1-methyl-3-((octyloxy)methyl)-, monohydrochloride
- IUPAC
- 1-methyl-3-(octoxymethyl)benzimidazol-2-imine;hydrochloride
Names & synonyms
1,3-Dihydro-1-methyl-3-((octyloxy)methyl)-2H-benzimidazol-2-imine hydrochloride63659-00-72H-Benzimidazol-2-imine, 1,3-dihydro-1-methyl-3-((octyloxy)methyl)-, monohydrochlorideRefChem:2684661-methyl-3-(octoxymethyl)benzimidazol-2-imine;hydrochloride1-methyl-3-((octyloxy)methyl)-1H-benzo[d]imidazol-2(3H)-imine hydrochlorideDTXSID70979875AKOS0305102291-Methyl-3-[(octyloxy)methyl]-1,3-dihydro-2H-1,3-benzimidazol-2-imine--hydrogen chloride (1/1)1-Methyl-3-[(octyloxy)methyl]-1,3-dihydro-2H-benzimidazol-2-imine--hydrogen chloride (1/1)
Database identifiers
- CAS
63659-00-7- PubChem CID
- 3047488
- DTXSID
DTXSID70979875
Properties
Computed structural properties
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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