5-(2-ethoxyethoxy)-4-methyl-1-(quinolin-8-ylmethyl)benzimidazol-2-amine hydrate

Systemtic Name: 5-(2-ethoxyethoxy)-4-methyl-1-(quinolin-8-ylmethyl)benzimidazol-2-amine hydrate Openeye Name: 5-(2-ethoxyethoxy)-4-methyl-1-(8-quinolylmethyl)benzimidazol-2-amine hydrate CAS Name: 5-(2-ethoxyethoxy)-4-methyl-1-(8-quinolinylmethyl)-2-benzimidazolamine hydrate IUPAC Name: 5-(2-ethoxyethoxy)-4-methyl-1-(quinolin-8-ylmethyl)benzimidazol-2-amine hydrate Traditional Name: [5-(2-ethoxyethoxy)-4-methyl-1-(8-quinolylmethyl)benzimidazol-2-yl]amine hydrate Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=C(C2=C(C=C1)N(C(=N2)N)CC3=CC=CC4=C3N=CC=C4)C.O

Isomeric SMILES

CCOCCOC1=C(C2=C(C=C1)N(C(=N2)N)CC3=CC=CC4=C3N=CC=C4)C.O

InChI

InChI=1S/C22H24N4O2.H2O/c1-3-27-12-13-28-19-10-9-18-20(15(19)2)25-22(23)26(18)14-17-7-4-6-16-8-5-11-24-21(16)17;/h4-11H,3,12-14H2,1-2H3,(H2,23,25);1H2