Basic information
- Standard SMILES
Cl.c1coc(Cn2c(N3CCCNCC3)nc3ccccc32)c1- InChIKey
ZJFDPANOAIKWNZ-UHFFFAOYSA-N- Molecular formula
- C17H21ClN4O
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.140389
Names & identifiers
- Preferred name
- 4-(fur-2-ylmethyl-1H-benzimidazol-2-yl)[1,4]diazepane hydrochloric acid salt
- IUPAC
- 2-(1,4-diazepan-1-yl)-1-(furan-2-ylmethyl)benzimidazole;hydrochloride
Names & synonyms
SCHEMBL6598287ZJFDPANOAIKWNZ-UHFFFAOYSA-N4-(1-(fur-2-ylmethyl)-1H-benzimidazol-2-yl)[1,4]diazepane hydrochloric acid salt4-(fur-2-ylmethyl-1H-benzimidazol-2-yl)[1,4]diazepane hydrochloric acid salt
Database identifiers
- PubChem CID
- 69834101
Properties
Computed structural properties
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 367
Related reactions
3 records
Compound notes
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