Basic information
- Standard SMILES
c1cnc2c(c1)CCCC2N(Cc1ccc(CNCC2CCCN2)cc1)Cc1nc2ccccc2[nH]1- InChIKey
IPSHZIZTHWARSL-UHFFFAOYSA-N- Molecular formula
- C30H36N6
- Average molar mass
- 480.6 g/mol
Names & identifiers
- Preferred name
- (1H-Benzoimidazol-2-ylmethyl)-(4-{[(pyrrolidin-2-ylmethyl)-amino]-methyl}-benzyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine
- IUPAC
- N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(pyrrolidin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Names & synonyms
SCHEMBL4062191IPSHZIZTHWARSL-UHFFFAOYSA-N(1H-Benzoimidazol-2-ylmethyl)-(4-{[(pyrrolidin-2-ylmethyl)-amino]-methyl}-benzyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine
Database identifiers
- PubChem CID
- 22018599
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 666
Related reactions
2 records
Compound notes
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