6-tert-butyl-2-[4-chloranyl-3-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole hydrochloride

Systemtic Name: 6-tert-butyl-2-[4-chloranyl-3-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole hydrochloride Openeye Name: 6-tert-butyl-2-[4-chloro-3-(o-tolylmethoxy)phenyl]-1H-benzimidazole hydrochloride CAS Name: 6-tert-butyl-2-[4-chloro-3-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole hydrochloride IUPAC Name: 6-tert-butyl-2-[4-chloro-3-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole hydrochloride Traditional Name: 6-tert-butyl-2-[4-chloro-3-(2-methylbenzyl)oxy-phenyl]-1H-benzimidazole hydrochloride Formula: C25H26Cl2N2O MolecularWeight: 441.39274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=C(C=CC(=C2)C3=NC4=C(N3)C=C(C=C4)C(C)(C)C)Cl.Cl

Isomeric SMILES

CC1=CC=CC=C1COC2=C(C=CC(=C2)C3=NC4=C(N3)C=C(C=C4)C(C)(C)C)Cl.Cl

InChI

InChI=1S/C25H25ClN2O.ClH/c1-16-7-5-6-8-18(16)15-29-23-13-17(9-11-20(23)26)24-27-21-12-10-19(25(2,3)4)14-22(21)28-24;/h5-14H,15H2,1-4H3,(H,27,28);1H