1-[[1-(2-azanylidene-2-azido-ethyl)benzimidazol-2-yl]methyl]-3-propan-2-yl-benzimidazol-2-one

Systemtic Name: 1-[[1-(2-azanylidene-2-azido-ethyl)benzimidazol-2-yl]methyl]-3-propan-2-yl-benzimidazol-2-one Openeye Name: 2-[2-[(3-isopropyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazol-1-yl]acetimidoyl azide CAS Name: 1-[[1-(2-azido-2-iminoethyl)-2-benzimidazolyl]methyl]-3-propan-2-yl-2-benzimidazolone IUPAC Name: 2-[2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]ethanimidoyl azide Traditional Name: 1-[[1-(2-azido-2-imino-ethyl)benzimidazol-2-yl]methyl]-3-isopropyl-benzimidazol-2-one Formula: C20H20N8O MolecularWeight: 388.4258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CC(=N)N=[N+]=[N-]

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CC(=N)N=[N+]=[N-]

InChI

InChI=1S/C20H20N8O/c1-13(2)28-17-10-6-5-9-16(17)27(20(28)29)12-19-23-14-7-3-4-8-15(14)26(19)11-18(21)24-25-22/h3-10,13,21H,11-12H2,1-2H3