1-(3H-benzimidazol-5-yl)ethanone; 1-(7-bromanyl-3H-benzimidazol-5-yl)ethanone; 1-(7-chloranyl-3H-benzimidazol-5-yl)ethanone

Systemtic Name: 1-(3H-benzimidazol-5-yl)ethanone; 1-(7-bromanyl-3H-benzimidazol-5-yl)ethanone; 1-(7-chloranyl-3H-benzimidazol-5-yl)ethanone Openeye Name: 1-(3H-benzimidazol-5-yl)ethanone; 1-(7-bromo-3H-benzimidazol-5-yl)ethanone; 1-(7-chloro-3H-benzimidazol-5-yl)ethanone CAS Name: 1-(3H-benzimidazol-5-yl)ethanone; 1-(7-bromo-3H-benzimidazol-5-yl)ethanone; 1-(7-chloro-3H-benzimidazol-5-yl)ethanone IUPAC Name: 1-(3H-benzimidazol-5-yl)ethanone; 1-(7-bromo-3H-benzimidazol-5-yl)ethanone; 1-(7-chloro-3H-benzimidazol-5-yl)ethanone Traditional Name: 1-(3H-benzimidazol-5-yl)ethanone; 1-(7-bromo-3H-benzimidazol-5-yl)ethanone; 1-(7-chloro-3H-benzimidazol-5-yl)ethanone Formula: C27H22BrClN6O3 MolecularWeight: 593.85898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)N=CN2.CC(=O)C1=CC2=C(C(=C1)Cl)N=CN2.CC(=O)C1=CC2=C(C(=C1)Br)N=CN2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)N=CN2.CC(=O)C1=CC2=C(C(=C1)Cl)N=CN2.CC(=O)C1=CC2=C(C(=C1)Br)N=CN2

InChI

InChI=1S/C9H7BrN2O.C9H7ClN2O.C9H8N2O/c2*1-5(13)6-2-7(10)9-8(3-6)11-4-12-9;1-6(12)7-2-3-8-9(4-7)11-5-10-8/h2*2-4H,1H3,(H,11,12);2-5H,1H3,(H,10,11)