4-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)-1-(phenylmethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 4-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)-1-(phenylmethyl)benzimidazole-5-carboxylic acid Openeye Name: 1-benzyl-4-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)benzimidazole-5-carboxylic acid CAS Name: 4-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-1-(phenylmethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 1-benzyl-4-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzimidazole-5-carboxylic acid Traditional Name: 1-benzyl-4-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)benzimidazole-5-carboxylic acid Formula: C22H22N4O3 MolecularWeight: 390.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=C(C=CC3=C2N=CN3CC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=C(C=CC3=C2N=CN3CC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C22H22N4O3/c1-13(2)22(3)21(29)24-19(25-22)17-15(20(27)28)9-10-16-18(17)23-12-26(16)11-14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3,(H,27,28)(H,24,25,29)