1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea

Systemtic Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea Openeye Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea CAS Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea IUPAC Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea Traditional Name: 1,3-bis[3-(2-imidazolin-2-yl)phenyl]urea Formula: C38H40N12O2 MolecularWeight: 696.8034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4.C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4

Isomeric SMILES

C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4.C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4

InChI

InChI=1S/2C19H20N6O/c2*26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h2*1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)