N-cyclopentyl-2-[5-[6-(N-cyclopentylcarbamimidoyl)-1H-benzimidazol-2-yl]-2-furyl]-3H-benzimidazole-5-carboxamidine
Basic information
- CAS
216502-98-6- Standard SMILES
NC(=NC1CCCC1)c1ccc2nc(-c3ccc(-c4nc5ccc(C(N)=NC6CCCC6)cc5[nH]4)o3)[nH]c2c1- InChIKey
SEKATPONOCLPPU-UHFFFAOYSA-N- Molecular formula
- C30H32N8O
- Average molar mass
- 520.6 g/mol
- Monoisotopic mass
- 520.26990767
Names & identifiers
- Preferred name
- N-cyclopentyl-2-[5-[6-(N-cyclopentylcarbamimidoyl)-1H-benzimidazol-2-yl]-2-furyl]-3H-benzimidazole-5-carboxamidine
- IUPAC
- N'-cyclopentyl-2-[5-[6-(N'-cyclopentylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
Names & synonyms
CHEMBL125677DTXSID901145345216502-98-6N-cyclopentyl-2-[5-[6-(N-cyclopentylcarbamimidoyl)-1H-benzimidazol-2-yl]-2-furyl]-3H-benzimidazole-5-carboxamidine2,5-Bis[2-(5-(N-isopropylamidino)benzimidazoyl)]-furan1H-Benzimidazole-5-carboximidamide, 2,2a(2)-(2,5-furandiyl)bis[N-cyclopentyl-2,2'-(Furan-2,5-diyl)bis(N-cyclopentyl-1H-benzimidazole-6-carboximidamide)
Database identifiers
- CAS
216502-98-6- PubChem CID
- 460069
- DTXSID
DTXSID901145345- ChEMBL
CHEMBL125677- Nikkaji
- J1.016.175D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 843
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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