Basic information
- CAS
5352-55-6- Standard SMILES
O=C(Nc1ccc(C2=NC3CCCCC3N2)cc1)c1ccc(C(=O)Nc2ccc(C3=NC4CCCCC4N3)cc2)cc1- InChIKey
CXSYVUQGPSGTCV-UHFFFAOYSA-N- Molecular formula
- C34H36N6O2
- Average molar mass
- 560.7 g/mol
- Monoisotopic mass
- 560.28997441
Names & identifiers
- Preferred name
- N,N'-Bis-(4-(3a,4,5,6,7,7a-hexahydro-1H-benzoimidazol-2-yl)-phenyl)-terephthalamide
- IUPAC
- 1-N,4-N-bis[4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
Names & synonyms
NSC 584875352-55-6NSC58487N,N'-Bis-(4-(3a,4,5,6,7,7a-hexahydro-1H-benzoimidazol-2-yl)-phenyl)-terephthalamideN,N'-Bis-[4-(3a,4,5,6,7,7a-hexahydro-1H-benzoimidazol-2-yl)-phenyl]-terephthalamideN1,N4-bis[4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)phenyl]terephthalamide
Database identifiers
- CAS
5352-55-6- PubChem CID
- 414409
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 953
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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