N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine hydrate

Systemtic Name: N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine hydrate Openeye Name: N-[1-(1H-benzimidazol-2-ylmethyl)-4-piperidyl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine hydrate CAS Name: N-[1-(1H-benzimidazol-2-ylmethyl)-4-piperidinyl]-1-[(4-fluorophenyl)methyl]-2-benzimidazolamine hydrate IUPAC Name: N-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine hydrate Traditional Name: [1-(1H-benzimidazol-2-ylmethyl)-4-piperidyl]-[1-(4-fluorobenzyl)benzimidazol-2-yl]amine hydrate Formula: C27H29FN6O MolecularWeight: 472.557163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CC5=NC6=CC=CC=C6N5.O

Isomeric SMILES

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CC5=NC6=CC=CC=C6N5.O

InChI

InChI=1S/C27H27FN6.H2O/c28-20-11-9-19(10-12-20)17-34-25-8-4-3-7-24(25)32-27(34)29-21-13-15-33(16-14-21)18-26-30-22-5-1-2-6-23(22)31-26;/h1-12,21H,13-18H2,(H,29,32)(H,30,31);1H2