1-Piperazineacetamide, 4-((1-(3-(3-methoxyphenyl)-3-oxopropyl)-1H-benzimidazol-2-yl)methyl)-N-(1-methylethyl)-, (Z)-2-butenedioate (1:2)
Basic information
- CAS
60960-20-5- Standard SMILES
COc1cccc(C(=O)CCn2c(CN3CCN(CC(N)=O)CC3C(C)C)nc3ccccc32)c1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
XVSMPVCOWWKXDR-LVEZLNDCSA-N- Molecular formula
- C35H43N5O11
- Average molar mass
- 709.7 g/mol
- Monoisotopic mass
- 709.2959072
Names & identifiers
- Preferred name
- 1-Piperazineacetamide, 4-((1-(3-(3-methoxyphenyl)-3-oxopropyl)-1H-benzimidazol-2-yl)methyl)-N-(1-methylethyl)-, (Z)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);2-[4-[[1-[3-(3-methoxyphenyl)-3-oxopropyl]benzimidazol-2-yl]methyl]-3-propan-2-ylpiperazin-1-yl]acetamide
Names & synonyms
1-Piperazineacetamide, 4-((1-(3-(3-methoxyphenyl)-3-oxopropyl)-1H-benzimidazol-2-yl)methyl)-N-(1-methylethyl)-, (Z)-2-butenedioate (1:2)60960-20-5RefChem:1056379
Database identifiers
- CAS
60960-20-5- PubChem CID
- 6446471
Properties
Computed structural properties
- Topological polar surface area
- 243 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 14
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 838
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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