5-[(2-Methylbenzofuran-3-yl)carbonyl]-4,5,6,7-tetrahydrobenzimidazole fumarate
Basic information
- Standard SMILES
Cc1oc2ccccc2c1C(=O)C1CCc2nc[nH]c2C1.O=C(O)/C=C/C(=O)O- InChIKey
PWTJMFHMWKKWEB-WLHGVMLRSA-N- Molecular formula
- C21H20N2O6
- Average molar mass
- 396.4 g/mol
Names & identifiers
- Preferred name
- 5-[(2-Methylbenzofuran-3-yl)carbonyl]-4,5,6,7-tetrahydrobenzimidazole fumarate
- IUPAC
- (E)-but-2-enedioic acid;(2-methyl-1-benzofuran-3-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
Names & synonyms
SCHEMBL9049538PWTJMFHMWKKWEB-WLHGVMLRSA-N5-[(2-methylbenzofuran-3-yl)carbonyl]-4,5,6,7-tetrahydrobenzimidazole fumarate
Database identifiers
- PubChem CID
- 18985238
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 533
Related reactions
2 records
Compound notes
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