Basic information
- CAS
60248-24-0- Standard SMILES
O=C(CCn1c(CN2CCN(C/C=C\c3ccccc3)CC2)nc2ccccc21)c1ccco1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
DDYRUOXRYVBENR-KGCCCFOJSA-N- Molecular formula
- C36H38N4O10
- Average molar mass
- 686.7 g/mol
- Monoisotopic mass
- 686.25879342
Names & identifiers
- Preferred name
- 1-Propanone, 1-(2-furanyl)-3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-, (Z)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);1-(furan-2-yl)-3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
Names & synonyms
1-Propanone, 1-(2-furanyl)-3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-, (Z)-2-butenedioate (1:2)RefChem:105693560248-24-0EINECS 262-124-31-(2'-(alpha-Furoyl)eth-1'-yl)-2-(4''-cinnamylpiperazin-1''-ylmethyl)benzimidazole dimaleate3-(2-((4-Cinnamyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-1-(2-furyl)propan-1-one dimaleate
Database identifiers
- CAS
60248-24-0- PubChem CID
- 6444367
- EC Number
- 262-124-3
Properties
Computed structural properties
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 790
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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