AC1Q3JRD

16-(4-chloroanilino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile

Also Known As: Oprea1_228786|Oprea1_790918|BAS 00312804|SR-01000433896-1|11-((4-chlorophenyl)amino)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile|11-(4-CHLOROANILINO)-2,3-DIHYDRO-1H-CYCLOPENTA[4,5]PYRIDO[1,2-A][1,3]BENZIMIDAZOL-4-YL CYANIDE|11-(4-chloroanilino)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile|11-[(4-chlorophenyl)amino]-1,2,3,10-tetrahydrobenzimidazolo[1,2-a]cyclopenta[1 ,2-d]pyridine-4-carbonitrile|11-[(4-chlorophenyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile|16-[(4-chlorophenyl)amino]-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile

Molecular Formula	C21H15ClN4
Molecular Weight	358.0985 g/mol
LogP	5.24488
Topological Polar Surface Area	53.12 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	358.0985
Monoisotopic Mass	358.0985
Heavy Atoms	26
Complexity	1199.1074

Chemical Identifiers

CAS Number	305331-94-6
SMILES	C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NC5=CC=C(C=C5)Cl)C#N