2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile

C321H83F52N107O5 — CID 157277875

IUPAC2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile
SMILESCc1cc2nc(-c3nc(C(C#N)=C4N=c5c(F)c(F)c(F)c(F)c5=N4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)c4c(F)c(F)c(F)c(F)c4F)N=5)n3)oc2cc1F.Cc1ccc2oc(-c3nc(/C(C#N)=C4/N=c5cc(F)cc(F)c5=N4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)c4c(F)c(F)c(F)c(F)c4F)N=5)n3)nc2c1.N#C/C(=C1\N=c2cc(F)nc(F)c2=N1)c1nc(-c2nc3ccccc3o2)nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)N=3)n1.N#CC(=C1N=c2ccccc2=N1)c1nc(-c2nc3c(F)c(F)c(F)c(F)c3o2)nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)N=3)n1.[C-]#[N+]/C(=C1/N=c2cc(C#N)c([N+]#[C-])cc2=N1)c1cc(C(C#N)=C2N=c3cc(C#N)c(C#N)cc3=N2)cc(C(C#N)=C2N=c3cc([N+]#[C-])c([N+]#[C-])cc3=N2)n1.[C-]#[N+]/C(=C1\N=c2cc(C)c(C(F)(F)F)cc2=N1)c1cc(C(C#N)=C2N=c3cc(C(F)(F)F)c(C(F)(F)F)cc3=N2)cc(C(C#N)=C2N=c3cc(C)c(C)cc3=N2)n1.[C-]#[N+]C(=C1N=c2cc(F)c(F)cc2=N1)c1cc(C(C#N)=C2N=c3cc(F)c(F)cc3=N2)cc(C(C#N)=C2N=c3cc(F)c(F)cc3=N2)n1.[C-]#[N+]C(=C1N=c2ccccc2=N1)c1cc(C(C#N)=C2N=c3ccccc3=N2)cc(C(C#N)=C2N=c3ccccc3=N2)n1.[C-]#[N+]c1cc2c(cc1C#N)=N/C(=C(\C#N)c1nc(-c3nc4cc([N+]#[C-])c(C#N)cc4o3)nc(-c3ccc4c(c3C#N)=N/C(=C(\C#N)c3c(F)c(F)c([N+]#[C-])c(F)c3F)N=4)n1)N=2
InChIInChI=1S/C40H6F4N16O.C38H17F9N10.C38H8N16.C36H7F10N11O.C36H10F7N11O.C35H6F9N11O.C34H7F7N12O.C32H8F6N10.C32H14N10/c1-50-22-8-25-24(6-15(22)10-45)54-37(55-25)20(14-49)38-58-35(59-39(60-38)40-56-26-9-23(51-2)16(11-46)7-27(26)61-40)17-4-5-21-33(18(17)12-47)57-36(53-21)19(13-48)28-29(41)31(43)34(52-3)32(44)30(28)42;1-15-5-25-26(6-16(15)2)53-34(52-25)20(14-49)24-8-18(19(13-48)33-54-29-11-22(37(42,43)44)23(38(45,46)47)12-30(29)55-33)9-31(51-24)32(50-4)35-56-27-7-17(3)21(36(39,40)41)10-28(27)57-35;1-44-24-10-31-30(9-21(24)15-41)53-38(54-31)35(47-4)34-6-18(22(16-42)36-49-28-7-19(13-39)20(14-40)8-29(28)50-36)5-25(48-34)23(17-43)37-51-32-11-26(45-2)27(46-3)12-33(32)52-37;1-9-4-16-17(5-14(9)37)58-36(51-16)35-56-31(55-34(57-35)13(8-49)33-53-29-26(45)24(43)25(44)27(46)30(29)54-33)10-2-3-15-28(11(10)6-47)52-32(50-15)12(7-48)18-19(38)21(40)23(42)22(41)20(18)39;1-12-2-5-22-20(6-12)49-36(55-22)35-53-31(52-34(54-35)17(11-46)33-48-21-8-13(37)7-18(38)30(21)51-33)14-3-4-19-29(15(14)9-44)50-32(47-19)16(10-45)23-24(39)26(41)28(43)27(42)25(23)40;36-18-17(19(37)21(39)22(40)20(18)38)12(8-46)31-50-16-6-5-10(11(7-45)27(16)51-31)30-53-33(13(9-47)32-48-14-3-1-2-4-15(14)49-32)55-34(54-30)35-52-28-25(43)23(41)24(42)26(44)29(28)56-35;35-19-7-17-27(28(41)48-19)50-31(46-17)14(10-44)32-51-29(52-33(53-32)34-47-15-3-1-2-4-18(15)54-34)11-5-6-16-26(12(11)8-42)49-30(45-16)13(9-43)20-21(36)23(38)25(40)24(39)22(20)37;1-41-29(32-47-26-8-19(37)20(38)9-27(26)48-32)28-3-12(13(10-39)30-43-22-4-15(33)16(34)5-23(22)44-30)2-21(42-28)14(11-40)31-45-24-6-17(35)18(36)7-25(24)46-31;1-35-29(32-41-25-12-6-7-13-26(25)42-32)28-15-18(19(16-33)30-37-21-8-2-3-9-22(21)38-30)14-27(36-28)20(17-34)31-39-23-10-4-5-11-24(23)40-31/h4-9H;5-12H,1-3H3;5-12H;2-5H,1H3;2-8H,1H3;1-6H;1-7H;2-9H;2-15H/b36-19+,37-20-;35-32+;38-35-;32-12+;32-16+,33-17-;31-12+;30-13+,31-14-;;
InChIKeyAZHWSMFRURFFNA-OZQKLZPBSA-N
MW6505.84 g/mol
LogP37.66
Rot. Bonds32

About 2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile

2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile (PubChem CID 157277875) has the molecular formula C321H83F52N107O5 and a molecular weight of 6505.84 g/mol. Its IUPAC name is 2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile
PubChem CID157277875
Molecular FormulaC321H83F52N107O5
Molecular Weight6505.84 g/mol
Exact Mass6501.87
IUPAC Name2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile
SMILESCc1cc2nc(-c3nc(C(C#N)=C4N=c5c(F)c(F)c(F)c(F)c5=N4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)c4c(F)c(F)c(F)c(F)c4F)N=5)n3)oc2cc1F.Cc1ccc2oc(-c3nc(/C(C#N)=C4/N=c5cc(F)cc(F)c5=N4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)c4c(F)c(F)c(F)c(F)c4F)N=5)n3)nc2c1.N#C/C(=C1\N=c2cc(F)nc(F)c2=N1)c1nc(-c2nc3ccccc3o2)nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)N=3)n1.N#CC(=C1N=c2ccccc2=N1)c1nc(-c2nc3c(F)c(F)c(F)c(F)c3o2)nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)N=3)n1.[C-]#[N+]/C(=C1/N=c2cc(C#N)c([N+]#[C-])cc2=N1)c1cc(C(C#N)=C2N=c3cc(C#N)c(C#N)cc3=N2)cc(C(C#N)=C2N=c3cc([N+]#[C-])c([N+]#[C-])cc3=N2)n1.[C-]#[N+]/C(=C1\N=c2cc(C)c(C(F)(F)F)cc2=N1)c1cc(C(C#N)=C2N=c3cc(C(F)(F)F)c(C(F)(F)F)cc3=N2)cc(C(C#N)=C2N=c3cc(C)c(C)cc3=N2)n1.[C-]#[N+]C(=C1N=c2cc(F)c(F)cc2=N1)c1cc(C(C#N)=C2N=c3cc(F)c(F)cc3=N2)cc(C(C#N)=C2N=c3cc(F)c(F)cc3=N2)n1.[C-]#[N+]C(=C1N=c2ccccc2=N1)c1cc(C(C#N)=C2N=c3ccccc3=N2)cc(C(C#N)=C2N=c3ccccc3=N2)n1.[C-]#[N+]c1cc2c(cc1C#N)=N/C(=C(\C#N)c1nc(-c3nc4cc([N+]#[C-])c(C#N)cc4o3)nc(-c3ccc4c(c3C#N)=N/C(=C(\C#N)c3c(F)c(F)c([N+]#[C-])c(F)c3F)N=4)n1)N=2
InChIInChI=1S/C40H6F4N16O.C38H17F9N10.C38H8N16.C36H7F10N11O.C36H10F7N11O.C35H6F9N11O.C34H7F7N12O.C32H8F6N10.C32H14N10/c1-50-22-8-25-24(6-15(22)10-45)54-37(55-25)20(14-49)38-58-35(59-39(60-38)40-56-26-9-23(51-2)16(11-46)7-27(26)61-40)17-4-5-21-33(18(17)12-47)57-36(53-21)19(13-48)28-29(41)31(43)34(52-3)32(44)30(28)42;1-15-5-25-26(6-16(15)2)53-34(52-25)20(14-49)24-8-18(19(13-48)33-54-29-11-22(37(42,43)44)23(38(45,46)47)12-30(29)55-33)9-31(51-24)32(50-4)35-56-27-7-17(3)21(36(39,40)41)10-28(27)57-35;1-44-24-10-31-30(9-21(24)15-41)53-38(54-31)35(47-4)34-6-18(22(16-42)36-49-28-7-19(13-39)20(14-40)8-29(28)50-36)5-25(48-34)23(17-43)37-51-32-11-26(45-2)27(46-3)12-33(32)52-37;1-9-4-16-17(5-14(9)37)58-36(51-16)35-56-31(55-34(57-35)13(8-49)33-53-29-26(45)24(43)25(44)27(46)30(29)54-33)10-2-3-15-28(11(10)6-47)52-32(50-15)12(7-48)18-19(38)21(40)23(42)22(41)20(18)39;1-12-2-5-22-20(6-12)49-36(55-22)35-53-31(52-34(54-35)17(11-46)33-48-21-8-13(37)7-18(38)30(21)51-33)14-3-4-19-29(15(14)9-44)50-32(47-19)16(10-45)23-24(39)26(41)28(43)27(42)25(23)40;36-18-17(19(37)21(39)22(40)20(18)38)12(8-46)31-50-16-6-5-10(11(7-45)27(16)51-31)30-53-33(13(9-47)32-48-14-3-1-2-4-15(14)49-32)55-34(54-30)35-52-28-25(43)23(41)24(42)26(44)29(28)56-35;35-19-7-17-27(28(41)48-19)50-31(46-17)14(10-44)32-51-29(52-33(53-32)34-47-15-3-1-2-4-18(15)54-34)11-5-6-16-26(12(11)8-42)49-30(45-16)13(9-43)20-21(36)23(38)25(40)24(39)22(20)37;1-41-29(32-47-26-8-19(37)20(38)9-27(26)48-32)28-3-12(13(10-39)30-43-22-4-15(33)16(34)5-23(22)44-30)2-21(42-28)14(11-40)31-45-24-6-17(35)18(36)7-25(24)46-31;1-35-29(32-41-25-12-6-7-13-26(25)42-32)28-15-18(19(16-33)30-37-21-8-2-3-9-22(21)38-30)14-27(36-28)20(17-34)31-39-23-10-4-5-11-24(23)40-31/h4-9H;5-12H,1-3H3;5-12H;2-5H,1H3;2-8H,1H3;1-6H;1-7H;2-9H;2-15H/b36-19+,37-20-;35-32+;38-35-;32-12+;32-16+,33-17-;31-12+;30-13+,31-14-;;
InChIKeyAZHWSMFRURFFNA-OZQKLZPBSA-N
XLogP37.66
TPSA1641.51 Ų
H-Bond Donors
H-Bond Acceptors102
Rotatable Bonds32
Heavy Atoms485
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006505.84
LogP ≤ 537.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 10102

Analyze 2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile?
The IUPAC name of 2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile (CID 157277875) is 2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile is Cc1cc2nc(-c3nc(C(C#N)=C4N=c5c(F)c(F)c(F)c(F)c5=N4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)c4c(F)c(F)c(F)c(F)c4F)N=5)n3)oc2cc1F.Cc1ccc2oc(-c3nc(/C(C#N)=C4/N=c5cc(F)cc(F)c5=N4)nc(-c4ccc5c(c4C#N)=N/C(=C(\C#N)c4c(F)c(F)c(F)c(F)c4F)N=5)n3)nc2c1.N#C/C(=C1\N=c2cc(F)nc(F)c2=N1)c1nc(-c2nc3ccccc3o2)nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)N=3)n1.N#CC(=C1N=c2ccccc2=N1)c1nc(-c2nc3c(F)c(F)c(F)c(F)c3o2)nc(-c2ccc3c(c2C#N)=N/C(=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)N=3)n1.[C-]#[N+]/C(=C1/N=c2cc(C#N)c([N+]#[C-])cc2=N1)c1cc(C(C#N)=C2N=c3cc(C#N)c(C#N)cc3=N2)cc(C(C#N)=C2N=c3cc([N+]#[C-])c([N+]#[C-])cc3=N2)n1.[C-]#[N+]/C(=C1\N=c2cc(C)c(C(F)(F)F)cc2=N1)c1cc(C(C#N)=C2N=c3cc(C(F)(F)F)c(C(F)(F)F)cc3=N2)cc(C(C#N)=C2N=c3cc(C)c(C)cc3=N2)n1.[C-]#[N+]C(=C1N=c2cc(F)c(F)cc2=N1)c1cc(C(C#N)=C2N=c3cc(F)c(F)cc3=N2)cc(C(C#N)=C2N=c3cc(F)c(F)cc3=N2)n1.[C-]#[N+]C(=C1N=c2ccccc2=N1)c1cc(C(C#N)=C2N=c3ccccc3=N2)cc(C(C#N)=C2N=c3ccccc3=N2)n1.[C-]#[N+]c1cc2c(cc1C#N)=N/C(=C(\C#N)c1nc(-c3nc4cc([N+]#[C-])c(C#N)cc4o3)nc(-c3ccc4c(c3C#N)=N/C(=C(\C#N)c3c(F)c(F)c([N+]#[C-])c(F)c3F)N=4)n1)N=2.
What is the InChIKey of 2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile?
The InChIKey is AZHWSMFRURFFNA-OZQKLZPBSA-N. The full InChI is InChI=1S/C40H6F4N16O.C38H17F9N10.C38H8N16.C36H7F10N11O.C36H10F7N11O.C35H6F9N11O.C34H7F7N12O.C32H8F6N10.C32H14N10/c1-50-22-8-25-24(6-15(22)10-45)54-37(55-25)20(14-49)38-58-35(59-39(60-38)40-56-26-9-23(51-2)16(11-46)7-27(26)61-40)17-4-5-21-33(18(17)12-47)57-36(53-21)19(13-48)28-29(41)31(43)34(52-3)32(44)30(28)42;1-15-5-25-26(6-16(15)2)53-34(52-25)20(14-49)24-8-18(19(13-48)33-54-29-11-22(37(42,43)44)23(38(45,46)47)12-30(29)55-33)9-31(51-24)32(50-4)35-56-27-7-17(3)21(36(39,40)41)10-28(27)57-35;1-44-24-10-31-30(9-21(24)15-41)53-38(54-31)35(47-4)34-6-18(22(16-42)36-49-28-7-19(13-39)20(14-40)8-29(28)50-36)5-25(48-34)23(17-43)37-51-32-11-26(45-2)27(46-3)12-33(32)52-37;1-9-4-16-17(5-14(9)37)58-36(51-16)35-56-31(55-34(57-35)13(8-49)33-53-29-26(45)24(43)25(44)27(46)30(29)54-33)10-2-3-15-28(11(10)6-47)52-32(50-15)12(7-48)18-19(38)21(40)23(42)22(41)20(18)39;1-12-2-5-22-20(6-12)49-36(55-22)35-53-31(52-34(54-35)17(11-46)33-48-21-8-13(37)7-18(38)30(21)51-33)14-3-4-19-29(15(14)9-44)50-32(47-19)16(10-45)23-24(39)26(41)28(43)27(42)25(23)40;36-18-17(19(37)21(39)22(40)20(18)38)12(8-46)31-50-16-6-5-10(11(7-45)27(16)51-31)30-53-33(13(9-47)32-48-14-3-1-2-4-15(14)49-32)55-34(54-30)35-52-28-25(43)23(41)24(42)26(44)29(28)56-35;35-19-7-17-27(28(41)48-19)50-31(46-17)14(10-44)32-51-29(52-33(53-32)34-47-15-3-1-2-4-18(15)54-34)11-5-6-16-26(12(11)8-42)49-30(45-16)13(9-43)20-21(36)23(38)25(40)24(39)22(20)37;1-41-29(32-47-26-8-19(37)20(38)9-27(26)48-32)28-3-12(13(10-39)30-43-22-4-15(33)16(34)5-23(22)44-30)2-21(42-28)14(11-40)31-45-24-6-17(35)18(36)7-25(24)46-31;1-35-29(32-41-25-12-6-7-13-26(25)42-32)28-15-18(19(16-33)30-37-21-8-2-3-9-22(21)38-30)14-27(36-28)20(17-34)31-39-23-10-4-5-11-24(23)40-31/h4-9H;5-12H,1-3H3;5-12H;2-5H,1H3;2-8H,1H3;1-6H;1-7H;2-9H;2-15H/b36-19+,37-20-;35-32+;38-35-;32-12+;32-16+,33-17-;31-12+;30-13+,31-14-;;.
What are the key properties of 2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile?
2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile has a molecular weight of 6505.84 g/mol, XLogP of 37.66, 32 rotatable bonds, 0 hydrogen bond donors, and 102 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-2-ylidene)-2-[2-[benzimidazol-2-ylidene(cyano)methyl]-6-[benzimidazol-2-ylidene(isocyano)methyl]-4-pyridinyl]acetonitrile;(2Z)-5-[4-[benzimidazol-2-ylidene(cyano)methyl]-6-(4,5,6,7-tetrafluoro-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-5-[4-(1,3-benzoxazol-2-yl)-6-[(Z)-cyano-(4,6-difluoroimidazo[4,5-c]pyridin-2-ylidene)methyl]-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;2-[5,6-bis(trifluoromethyl)benzimidazol-2-ylidene]-2-[2-[cyano-(5,6-dimethylbenzimidazol-2-ylidene)methyl]-6-[(E)-isocyano-[5-methyl-6-(trifluoromethyl)benzimidazol-2-ylidene]methyl]-4-pyridinyl]acetonitrile;2-[cyano-[2-[cyano-(5,6-diisocyanobenzimidazol-2-ylidene)methyl]-6-[(Z)-(5-cyano-6-isocyanobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]methylidene]benzimidazole-5,6-dicarbonitrile;2-[4-[(Z)-cyano-(5-cyano-6-isocyanobenzimidazol-2-ylidene)methyl]-6-[(2Z)-4-cyano-2-[cyano-(2,3,5,6-tetrafluoro-4-isocyanophenyl)methylidene]benzimidazol-5-yl]-1,3,5-triazin-2-yl]-5-isocyano-1,3-benzoxazole-6-carbonitrile;2-[2-[cyano-(5,6-difluorobenzimidazol-2-ylidene)methyl]-6-[(5,6-difluorobenzimidazol-2-ylidene)-isocyanomethyl]-4-pyridinyl]-2-(5,6-difluorobenzimidazol-2-ylidene)acetonitrile;(2Z)-5-[4-[(Z)-cyano-(4,6-difluorobenzimidazol-2-ylidene)methyl]-6-(5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]benzimidazole-4-carbonitrile;(2Z)-2-[cyano-(2,3,4,5,6-pentafluorophenyl)methylidene]-5-[4-[cyano-(4,5,6,7-tetrafluorobenzimidazol-2-ylidene)methyl]-6-(6-fluoro-5-methyl-1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]benzimidazole-4-carbonitrile is sourced from PubChem (CID 157277875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).