1-Piperazineacetamide, 4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate, hydrate (1:2:2)
Basic information
- CAS
60960-24-9- Standard SMILES
NC(=O)CN1CCN(Cc2nc3ccccc3n2CCC(=O)c2ccccc2)CC1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
AOVLMCVSNQTFIV-LVEZLNDCSA-N- Molecular formula
- C31H35N5O10
- Average molar mass
- 637.6 g/mol
- Monoisotopic mass
- 637.23839233
Names & identifiers
- Preferred name
- 1-Piperazineacetamide, 4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate, hydrate (1:2:2)
- IUPAC
- bis((E)-but-2-enedioic acid);2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]acetamide
Names & synonyms
1-Piperazineacetamide, 4-((1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl)methyl)-, (Z)-2-butenedioate, hydrate (1:2:2)60960-24-9RefChem:1056381
Database identifiers
- CAS
60960-24-9- PubChem CID
- 6446473
Properties
Computed structural properties
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 705
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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