Basic information
- CAS
216503-06-9- Standard SMILES
NC(=NC1CCCC1)c1ccc2nc(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccc(C(N)=NC8CCCC8)cc7[nH]6)cc5)o4)cc3)[nH]c2c1- InChIKey
GXGKGYYPDUFTLY-UHFFFAOYSA-N- Molecular formula
- C42H40N8O
- Average molar mass
- 672.8 g/mol
- Monoisotopic mass
- 672.33250793
Names & identifiers
- Preferred name
- 2,2'-[Furan-2,5-diyldi(4,1-phenylene)]bis(N'-cyclopentyl-1H-1,3-benzimidazole-6-carboximidamide)
- IUPAC
- N'-cyclopentyl-2-[4-[5-[4-[6-(N'-cyclopentylcarbamimidoyl)-1H-benzimidazol-2-yl]phenyl]furan-2-yl]phenyl]-3H-benzimidazole-5-carboximidamide
Names & synonyms
DTXSID001760372,2'-[Furan-2,5-diyldi(4,1-phenylene)]bis(N'-cyclopentyl-1H-1,3-benzimidazole-6-carboximidamide)
Database identifiers
- CAS
216503-06-9- PubChem CID
- 460076
- DTXSID
DTXSID00176037
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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