Basic information
- Standard SMILES
COc1ccc(C(=O)N2CCN(CCn3c(C(=O)N(C)c4cc(C)cc(C)n4)nc4ccccc43)CC2)cc1OC- InChIKey
LJYNSQPCSIYXIP-UHFFFAOYSA-N- Molecular formula
- C31H36N6O4
- Average molar mass
- 556.7 g/mol
Names & identifiers
- Preferred name
- N-Methyl-N-(4,6-dimethyl-2-pyridyl)-1-[2-(4-(3,4-dimethoxybenzoyl)-1-piperazinyl)ethyl]benzimidazole-2-carboxamide
- IUPAC
- 1-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]ethyl]-N-(4,6-dimethyl-2-pyridinyl)-N-methylbenzimidazole-2-carboxamide
Names & synonyms
SCHEMBL9051967LJYNSQPCSIYXIP-UHFFFAOYSA-NN 3601N-Methyl-N-(4,6-dimethyl-2-pyridyl)-1-[2-(4-(3,4-dimethoxybenzoyl)-1-piperazinyl)ethyl]benzimidazole-2-carboxamide
Database identifiers
- PubChem CID
- 9809995
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 885
Related reactions
2 records
Compound notes
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