5-fluoranyl-1-[(4-fluorophenyl)methyl]-N-(1-phenethylpiperidin-4-yl)benzimidazol-2-amine hydrate

Systemtic Name: 5-fluoranyl-1-[(4-fluorophenyl)methyl]-N-(1-phenethylpiperidin-4-yl)benzimidazol-2-amine hydrate Openeye Name: 5-fluoro-1-[(4-fluorophenyl)methyl]-N-(1-phenethyl-4-piperidyl)benzimidazol-2-amine hydrate CAS Name: 5-fluoro-1-[(4-fluorophenyl)methyl]-N-(1-phenethyl-4-piperidinyl)-2-benzimidazolamine hydrate IUPAC Name: 5-fluoro-1-[(4-fluorophenyl)methyl]-N-(1-phenethylpiperidin-4-yl)benzimidazol-2-amine hydrate Traditional Name: [5-fluoro-1-(4-fluorobenzyl)benzimidazol-2-yl]-(1-phenethyl-4-piperidyl)amine hydrate Formula: C27H30F2N4O MolecularWeight: 464.550106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)F)CCC5=CC=CC=C5.O

Isomeric SMILES

C1CN(CCC1NC2=NC3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)F)CCC5=CC=CC=C5.O

InChI

InChI=1S/C27H28F2N4.H2O/c28-22-8-6-21(7-9-22)19-33-26-11-10-23(29)18-25(26)31-27(33)30-24-13-16-32(17-14-24)15-12-20-4-2-1-3-5-20;/h1-11,18,24H,12-17,19H2,(H,30,31);1H2