N-(5-butyl-2-pyridinylmethyl)-N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine
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Basic information
- Standard SMILES
CCCCc1ccc(CNCc2ccc(CN(Cc3nc4ccccc4[nH]3)C3CCCc4cccnc43)cc2)nc1- InChIKey
LBOUISMFJMGZLU-UHFFFAOYSA-N- Molecular formula
- C35H40N6
- Average molar mass
- 544.7 g/mol
Names & identifiers
- Preferred name
- N-(5-butyl-2-pyridinylmethyl)-N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine
- IUPAC
- N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[(5-butyl-2-pyridinyl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Names & synonyms
SCHEMBL4064223LBOUISMFJMGZLU-UHFFFAOYSA-NN-(5-butyl-2-pyridinylmethyl)-N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine
Database identifiers
- PubChem CID
- 22018809
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 755
Related reactions
1 records
Compound notes
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