1H-Benzimidazole, 2-(4-methyl-1-piperazinyl)-1-(2-(2-propynyloxy)ethyl)-, (E)-2-butenedioate(2:3)
Basic information
- CAS
87233-60-1- Standard SMILES
C#CCOCCn1c(N2CCN(C)CC2)nc2ccccc21.C#CCOCCn1c(N2CCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
YJZCDCVYTLCPII-VQYXCCSOSA-N- Molecular formula
- C46H56N8O14
- Average molar mass
- 945 g/mol
- Monoisotopic mass
- 944.39159849
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 2-(4-methyl-1-piperazinyl)-1-(2-(2-propynyloxy)ethyl)-, (E)-2-butenedioate(2:3)
- IUPAC
- tris((E)-but-2-enedioic acid);bis(2-(4-methylpiperazin-1-yl)-1-(2-prop-2-ynoxyethyl)benzimidazole)
Names & synonyms
1H-Benzimidazole, 2-(4-methyl-1-piperazinyl)-1-(2-(2-propynyloxy)ethyl)-, (E)-2-butenedioate(2:3)87233-60-1RefChem:10578231-(2-(Propargyloxy)ethyl)-2-(4-methyl-1-piperazinyl)benzimidazole fumarate (2:3)
Database identifiers
- CAS
87233-60-1- PubChem CID
- 6448422
Properties
Computed structural properties
- Topological polar surface area
- 291 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 16
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 518
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Compound notes
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