1-[2-(hydroxymethyl)-6-methyl-1H-benzimidazol-5-yl]butan-1-one

Systemtic Name: 1-[2-(hydroxymethyl)-6-methyl-1H-benzimidazol-5-yl]butan-1-one Openeye Name: 1-[2-(hydroxymethyl)-6-methyl-1H-benzimidazol-5-yl]butan-1-one CAS Name: 1-[2-(hydroxymethyl)-6-methyl-1H-benzimidazol-5-yl]-1-butanone IUPAC Name: 1-[2-(hydroxymethyl)-6-methyl-1H-benzimidazol-5-yl]butan-1-one Traditional Name: 1-(6-methyl-2-methylol-1H-benzimidazol-5-yl)butan-1-one Formula: C13H16N2O2 MolecularWeight: 232.27834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1C)NC(=N2)CO

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1C)NC(=N2)CO

InChI

InChI=1S/C13H16N2O2/c1-3-4-12(17)9-6-11-10(5-8(9)2)14-13(7-16)15-11/h5-6,16H,3-4,7H2,1-2H3,(H,14,15)