Basic information
- Standard SMILES
CCCN(CCC)C(Cc1cccc2c1ncn2C(=O)OC(C)(C)C)(C(=O)OCC)C(=O)OCC- InChIKey
VTHPDVSDVHBRQP-UHFFFAOYSA-N- Molecular formula
- C26H39N3O6
- Average molar mass
- 489.6 g/mol
Names & identifiers
- Preferred name
- diethyl {((1,1-dimethylethoxycarbonyl)-1H-benzimidazole-4-yl)methyl}(dipropylamino)-propanedioate
- IUPAC
- diethyl 2-(dipropylamino)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-4-yl]methyl]propanedioate
Names & synonyms
VTHPDVSDVHBRQP-UHFFFAOYSA-Ndiethyl {((1,1 -dimethylethoxycarbonyl)-1H-benzimidazole-4-yl)methyl}(dipropyl amino)-propanedioatediethyl {((1,1-dimethylethoxycarbonyl)-1H-benzimidazole-4-yl)methyl}(dipropylamino)-propanedioate
Database identifiers
- PubChem CID
- 15744967
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 698
Related reactions
3 records
Compound notes
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