1H-Benzimidazole, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-phenoxyethyl)-, (E)-2-butenedioate (1:2)
Basic information
- CAS
87233-74-7- Standard SMILES
CN1CCCN(c2nc3ccccc3n2CCOc2ccccc2)CC1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
IQUJQARCXXLNQZ-LVEZLNDCSA-N- Molecular formula
- C29H34N4O9
- Average molar mass
- 582.6 g/mol
- Monoisotopic mass
- 582.23257867
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-phenoxyethyl)-, (E)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);2-(4-methyl-1,4-diazepan-1-yl)-1-(2-phenoxyethyl)benzimidazole
Names & synonyms
1H-Benzimidazole, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-1-(2-phenoxyethyl)-, (E)-2-butenedioate (1:2)87233-74-7RefChem:10578321-(2-Phenoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarateSCHEMBL10928336IQUJQARCXXLNQZ-LVEZLNDCSA-N1-[2-(phenoxy)ethyl]-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate
Database identifiers
- CAS
87233-74-7- PubChem CID
- 6448428
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 547
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Related reactions
1 records
Compound notes
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