Basic information
- Standard SMILES
c1cnc2c(c1)CCCC2N(Cc1ccc2c(c1)OCO2)Cc1nc2ccccc2[nH]1- InChIKey
AFTZKEJJJQJQMX-UHFFFAOYSA-N- Molecular formula
- C25H24N4O2
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- Benzo[1,3]dioxol-5-ylmethyl-(1h-benzoimidazol-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine
- IUPAC
- N-(1H-benzimidazol-2-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
Names & synonyms
SCHEMBL2507198AFTZKEJJJQJQMX-UHFFFAOYSA-Nbenzo[1,3 ]dioxol-5-ylmethyl-(1h-benzoimidazol-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-aminebenzo[1,3]dioxol-5-ylmethyl-( 1H-benzoimidazol-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-aminebenzo[1,3]dioxol-5-ylmethyl-(1h-benzoimidazol-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine
Database identifiers
- PubChem CID
- 21985019
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 606
Related reactions
3 records
Compound notes
Loading…