Basic information
- Standard SMILES
COc1ccc2c(c1)nc(/C=C/C(C)C)n2-c1ccccn1.O=C(O)C(=O)O- InChIKey
XXFAWTMPYALUBR-HCUGZAAXSA-N- Molecular formula
- C20H21N3O5
- Average molar mass
- 383.4 g/mol
Names & identifiers
- Preferred name
- (E)-2-(3-Methyl-1-butenyl)-5-methoxy-1-(2-pyridyl)-1H-benzimidazole oxalate
- IUPAC
- 5-methoxy-2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;oxalic acid
Names & synonyms
SCHEMBL6832789XXFAWTMPYALUBR-HCUGZAAXSA-N(E)-2-(3-Methyl-1-butenyl)-5-methoxy-1-(2-pyridyl)-1H-benzimidazole oxalate
Database identifiers
- PubChem CID
- 22736729
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 456
Related reactions
2 records
Compound notes
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