1-[4-(5-azanylbenzimidazol-1-yl)phenyl]-3-[4-chloranyl-3-(trifluoromethyl)phenyl]urea hydrochloride

Systemtic Name: 1-[4-(5-azanylbenzimidazol-1-yl)phenyl]-3-[4-chloranyl-3-(trifluoromethyl)phenyl]urea hydrochloride Openeye Name: 1-[4-(5-aminobenzimidazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea hydrochloride CAS Name: 1-[4-(5-amino-1-benzimidazolyl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea hydrochloride IUPAC Name: 1-[4-(5-aminobenzimidazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea hydrochloride Traditional Name: 1-[4-(5-aminobenzimidazol-1-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea hydrochloride Formula: C21H16Cl2F3N5O MolecularWeight: 482.28585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=NC4=C3C=CC(=C4)N.Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=NC4=C3C=CC(=C4)N.Cl

InChI

InChI=1S/C21H15ClF3N5O.ClH/c22-17-7-4-14(10-16(17)21(23,24)25)29-20(31)28-13-2-5-15(6-3-13)30-11-27-18-9-12(26)1-8-19(18)30;/h1-11H,26H2,(H2,28,29,31);1H