6-chloranyl-2-(4-methoxyphenyl)-1H-benzimidazole hydrate

Systemtic Name: 6-chloranyl-2-(4-methoxyphenyl)-1H-benzimidazole hydrate Openeye Name: 6-chloro-2-(4-methoxyphenyl)-1H-benzimidazole hydrate CAS Name: 6-chloro-2-(4-methoxyphenyl)-1H-benzimidazole hydrate IUPAC Name: 6-chloro-2-(4-methoxyphenyl)-1H-benzimidazole hydrate Traditional Name: 6-chloro-2-(4-methoxyphenyl)-1H-benzimidazole hydrate Formula: C28H24Cl2N4O3 MolecularWeight: 535.42116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Cl.COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Cl.O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Cl.COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Cl.O

InChI

InChI=1S/2C14H11ClN2O.H2O/c2*1-18-11-5-2-9(3-6-11)14-16-12-7-4-10(15)8-13(12)17-14;/h2*2-8H,1H3,(H,16,17);1H2