2-(1H-imidazol-5-yl)ethanamine; (2S)-1-(1H-imidazol-5-yl)-3-[(4-iodophenyl)methoxy]propan-2-amine

Systemtic Name: 2-(1H-imidazol-5-yl)ethanamine; (2S)-1-(1H-imidazol-5-yl)-3-[(4-iodophenyl)methoxy]propan-2-amine Openeye Name: 2-(1H-imidazol-5-yl)ethanamine; (2S)-1-(1H-imidazol-5-yl)-3-[(4-iodophenyl)methoxy]propan-2-amine CAS Name: 2-(1H-imidazol-5-yl)ethanamine; (2S)-1-(1H-imidazol-5-yl)-3-[(4-iodophenyl)methoxy]-2-propanamine IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine; (2S)-1-(1H-imidazol-5-yl)-3-[(4-iodophenyl)methoxy]propan-2-amine Traditional Name: 2-(1H-imidazol-5-yl)ethylamine; [(1S)-1-(1H-imidazol-5-ylmethyl)-2-(4-iodobenzyl)oxy-ethyl]amine Formula: C18H25IN6O MolecularWeight: 468.33517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COCC(CC2=CN=CN2)N)I.C1=C(NC=N1)CCN

Isomeric SMILES

C1=CC(=CC=C1COC[C@H](CC2=CN=CN2)N)I.C1=C(NC=N1)CCN

InChI

InChI=1S/C13H16IN3O.C5H9N3/c14-11-3-1-10(2-4-11)7-18-8-12(15)5-13-6-16-9-17-13;6-2-1-5-3-7-4-8-5/h1-4,6,9,12H,5,7-8,15H2,(H,16,17);3-4H,1-2,6H2,(H,7,8)/t12-;/m0./s1