[5-[4,6-dimethyl-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[4,6-dimethyl-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-(1-isobutyl-4,6-dimethyl-benzimidazol-2-yl)-2-furyl]phosphonic acid CAS Name: [5-[4,6-dimethyl-1-(2-methylpropyl)-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[4,6-dimethyl-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-(1-isobutyl-4,6-dimethyl-benzimidazol-2-yl)-2-furyl]phosphonic acid Formula: C17H21N2O4P MolecularWeight: 348.333401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=N2)C3=CC=C(O3)P(=O)(O)O)CC(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=N2)C3=CC=C(O3)P(=O)(O)O)CC(C)C)C

InChI

InChI=1S/C17H21N2O4P/c1-10(2)9-19-13-8-11(3)7-12(4)16(13)18-17(19)14-5-6-15(23-14)24(20,21)22/h5-8,10H,9H2,1-4H3,(H2,20,21,22)