N-[1-(2-azanylpropyl)piperidin-4-yl]-1-[ethoxy-(6-methylpyridin-2-yl)methyl]benzimidazol-2-amine hydrate

Systemtic Name: N-[1-(2-azanylpropyl)piperidin-4-yl]-1-[ethoxy-(6-methylpyridin-2-yl)methyl]benzimidazol-2-amine hydrate Openeye Name: N-[1-(2-aminopropyl)-4-piperidyl]-1-[ethoxy-(6-methyl-2-pyridyl)methyl]benzimidazol-2-amine hydrate CAS Name: N-[1-(2-aminopropyl)-4-piperidinyl]-1-[ethoxy-(6-methyl-2-pyridinyl)methyl]-2-benzimidazolamine hydrate IUPAC Name: N-[1-(2-aminopropyl)piperidin-4-yl]-1-[ethoxy-(6-methylpyridin-2-yl)methyl]benzimidazol-2-amine hydrate Traditional Name: [1-(2-aminopropyl)-4-piperidyl]-[1-[ethoxy-(6-methyl-2-pyridyl)methyl]benzimidazol-2-yl]amine hydrate Formula: C24H36N6O2 MolecularWeight: 440.58164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC(=N1)C)N2C3=CC=CC=C3N=C2NC4CCN(CC4)CC(C)N.O

Isomeric SMILES

CCOC(C1=CC=CC(=N1)C)N2C3=CC=CC=C3N=C2NC4CCN(CC4)CC(C)N.O

InChI

InChI=1S/C24H34N6O.H2O/c1-4-31-23(21-10-7-8-18(3)26-21)30-22-11-6-5-9-20(22)28-24(30)27-19-12-14-29(15-13-19)16-17(2)25;/h5-11,17,19,23H,4,12-16,25H2,1-3H3,(H,27,28);1H2