Basic information
- Standard SMILES
O=C(NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1)c1ccccn1- InChIKey
AZNHTGDMBGMJKB-UHFFFAOYSA-N- Molecular formula
- C31H30N6O
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.2481096
Names & identifiers
- Preferred name
- N-[[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-2-carboxamide
- IUPAC
- N-[[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-2-carboxamide
Names & synonyms
SCHEMBL4063779CHEMBL1092254AZNHTGDMBGMJKB-UHFFFAOYSA-NN-[[4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-2-carboxamidePyridine-2-carboxylic acid 4-{[(1H-benzimidazol-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-benzylamidePyridine-2-carboxylic Acid 4-{[(1H-Benzimidazol-2-ylmethyl)-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl}benzylamide
Database identifiers
- PubChem CID
- 10185485
- ChEMBL
CHEMBL1092254
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 757
Related reactions
2 records
Compound notes
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