1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide

C325H333FN78O30 — CID 157175921

IUPAC1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide
SMILESC=C(N)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)Nc3cccnc3)ccc21.CC(C)(C)c1ccc(NC(=O)c2ccc3c(c2)nc(-c2cccc(Oc4ccccc4)c2)n3[C@@H](CCCN=C(N)N)C(N)=O)cc1.COc1ccc(NC(=O)c2ccc3c(c2)nc(-c2cccc(OC)c2)n3[C@@H](CCCN=C(N)N)C(N)=O)cc1.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)N3CCN(c4cccc(F)c4)CC3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCCc3cccnc3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCCc3ccncc3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCc3ccccn3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCc3cccnc3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCc3ccncc3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)Nc3ccncc3)ccc21
InChIInChI=1S/C36H37FN8O3.C36H39N7O3.2C33H34N8O3.3C32H32N8O3.C32H32N8O2.C31H30N8O3.C28H31N7O4/c37-26-8-5-9-27(23-26)43-17-19-44(20-18-43)35(47)25-14-15-31-30(22-25)42-34(45(31)32(33(38)46)13-6-16-41-36(39)40)24-7-4-12-29(21-24)48-28-10-2-1-3-11-28;1-36(2,3)25-15-17-26(18-16-25)41-34(45)24-14-19-30-29(22-24)42-33(43(30)31(32(37)44)13-8-20-40-35(38)39)23-9-7-12-28(21-23)46-27-10-5-4-6-11-27;34-30(42)29(12-6-17-39-33(35)36)41-28-14-13-24(32(43)38-18-15-22-7-5-16-37-21-22)20-27(28)40-31(41)23-8-4-11-26(19-23)44-25-9-2-1-3-10-25;34-30(42)29(10-5-16-39-33(35)36)41-28-12-11-24(32(43)38-19-15-22-13-17-37-18-14-22)21-27(28)40-31(41)23-6-4-9-26(20-23)44-25-7-2-1-3-8-25;33-29(41)28(12-6-16-37-32(34)35)40-27-14-13-23(31(42)38-20-21-7-5-15-36-19-21)18-26(27)39-30(40)22-8-4-11-25(17-22)43-24-9-2-1-3-10-24;33-29(41)28(10-5-15-37-32(34)35)40-27-12-11-23(31(42)38-20-21-13-16-36-17-14-21)19-26(27)39-30(40)22-6-4-9-25(18-22)43-24-7-2-1-3-8-24;33-29(41)28(13-7-17-37-32(34)35)40-27-15-14-22(31(42)38-20-23-9-4-5-16-36-23)19-26(27)39-30(40)21-8-6-12-25(18-21)43-24-10-2-1-3-11-24;1-21(33)28(13-7-17-37-32(34)35)40-29-15-14-23(31(41)38-24-9-6-16-36-20-24)19-27(29)39-30(40)22-8-5-12-26(18-22)42-25-10-3-2-4-11-25;32-28(40)27(10-5-15-36-31(33)34)39-26-12-11-21(30(41)37-22-13-16-35-17-14-22)19-25(26)38-29(39)20-6-4-9-24(18-20)42-23-7-2-1-3-8-23;1-38-20-11-9-19(10-12-20)33-27(37)18-8-13-23-22(16-18)34-26(17-5-3-6-21(15-17)39-2)35(23)24(25(29)36)7-4-14-32-28(30)31/h1-5,7-12,14-15,21-23,32H,6,13,16-20H2,(H2,38,46)(H4,39,40,41);4-7,9-12,14-19,21-22,31H,8,13,20H2,1-3H3,(H2,37,44)(H,41,45)(H4,38,39,40);1-5,7-11,13-14,16,19-21,29H,6,12,15,17-18H2,(H2,34,42)(H,38,43)(H4,35,36,39);1-4,6-9,11-14,17-18,20-21,29H,5,10,15-16,19H2,(H2,34,42)(H,38,43)(H4,35,36,39);1-5,7-11,13-15,17-19,28H,6,12,16,20H2,(H2,33,41)(H,38,42)(H4,34,35,37);1-4,6-9,11-14,16-19,28H,5,10,15,20H2,(H2,33,41)(H,38,42)(H4,34,35,37);1-6,8-12,14-16,18-19,28H,7,13,17,20H2,(H2,33,41)(H,38,42)(H4,34,35,37);2-6,8-12,14-16,18-20,28H,1,7,13,17,33H2,(H,38,41)(H4,34,35,37);1-4,6-9,11-14,16-19,27H,5,10,15H2,(H2,32,40)(H4,33,34,36)(H,35,37,41);3,5-6,8-13,15-16,24H,4,7,14H2,1-2H3,(H2,29,36)(H,33,37)(H4,30,31,32)/t32-;31-;2*29-;4*28-;27-;24-/m0000000000/s1
InChIKeyANZRNOJASSQNLY-IBBYLICBSA-N
MW5830.75 g/mol
LogP42.88
Rot. Bonds117

About 1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide

1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide (PubChem CID 157175921) has the molecular formula C325H333FN78O30 and a molecular weight of 5830.75 g/mol. Its IUPAC name is 1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide.

Molecular Properties

Compound Name1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide
PubChem CID157175921
Molecular FormulaC325H333FN78O30
Molecular Weight5830.75 g/mol
Exact Mass5826.69
IUPAC Name1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide
SMILESC=C(N)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)Nc3cccnc3)ccc21.CC(C)(C)c1ccc(NC(=O)c2ccc3c(c2)nc(-c2cccc(Oc4ccccc4)c2)n3[C@@H](CCCN=C(N)N)C(N)=O)cc1.COc1ccc(NC(=O)c2ccc3c(c2)nc(-c2cccc(OC)c2)n3[C@@H](CCCN=C(N)N)C(N)=O)cc1.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)N3CCN(c4cccc(F)c4)CC3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCCc3cccnc3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCCc3ccncc3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCc3ccccn3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCc3cccnc3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCc3ccncc3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)Nc3ccncc3)ccc21
InChIInChI=1S/C36H37FN8O3.C36H39N7O3.2C33H34N8O3.3C32H32N8O3.C32H32N8O2.C31H30N8O3.C28H31N7O4/c37-26-8-5-9-27(23-26)43-17-19-44(20-18-43)35(47)25-14-15-31-30(22-25)42-34(45(31)32(33(38)46)13-6-16-41-36(39)40)24-7-4-12-29(21-24)48-28-10-2-1-3-11-28;1-36(2,3)25-15-17-26(18-16-25)41-34(45)24-14-19-30-29(22-24)42-33(43(30)31(32(37)44)13-8-20-40-35(38)39)23-9-7-12-28(21-23)46-27-10-5-4-6-11-27;34-30(42)29(12-6-17-39-33(35)36)41-28-14-13-24(32(43)38-18-15-22-7-5-16-37-21-22)20-27(28)40-31(41)23-8-4-11-26(19-23)44-25-9-2-1-3-10-25;34-30(42)29(10-5-16-39-33(35)36)41-28-12-11-24(32(43)38-19-15-22-13-17-37-18-14-22)21-27(28)40-31(41)23-6-4-9-26(20-23)44-25-7-2-1-3-8-25;33-29(41)28(12-6-16-37-32(34)35)40-27-14-13-23(31(42)38-20-21-7-5-15-36-19-21)18-26(27)39-30(40)22-8-4-11-25(17-22)43-24-9-2-1-3-10-24;33-29(41)28(10-5-15-37-32(34)35)40-27-12-11-23(31(42)38-20-21-13-16-36-17-14-21)19-26(27)39-30(40)22-6-4-9-25(18-22)43-24-7-2-1-3-8-24;33-29(41)28(13-7-17-37-32(34)35)40-27-15-14-22(31(42)38-20-23-9-4-5-16-36-23)19-26(27)39-30(40)21-8-6-12-25(18-21)43-24-10-2-1-3-11-24;1-21(33)28(13-7-17-37-32(34)35)40-29-15-14-23(31(41)38-24-9-6-16-36-20-24)19-27(29)39-30(40)22-8-5-12-26(18-22)42-25-10-3-2-4-11-25;32-28(40)27(10-5-15-36-31(33)34)39-26-12-11-21(30(41)37-22-13-16-35-17-14-22)19-25(26)38-29(39)20-6-4-9-24(18-20)42-23-7-2-1-3-8-23;1-38-20-11-9-19(10-12-20)33-27(37)18-8-13-23-22(16-18)34-26(17-5-3-6-21(15-17)39-2)35(23)24(25(29)36)7-4-14-32-28(30)31/h1-5,7-12,14-15,21-23,32H,6,13,16-20H2,(H2,38,46)(H4,39,40,41);4-7,9-12,14-19,21-22,31H,8,13,20H2,1-3H3,(H2,37,44)(H,41,45)(H4,38,39,40);1-5,7-11,13-14,16,19-21,29H,6,12,15,17-18H2,(H2,34,42)(H,38,43)(H4,35,36,39);1-4,6-9,11-14,17-18,20-21,29H,5,10,15-16,19H2,(H2,34,42)(H,38,43)(H4,35,36,39);1-5,7-11,13-15,17-19,28H,6,12,16,20H2,(H2,33,41)(H,38,42)(H4,34,35,37);1-4,6-9,11-14,16-19,28H,5,10,15,20H2,(H2,33,41)(H,38,42)(H4,34,35,37);1-6,8-12,14-16,18-19,28H,7,13,17,20H2,(H2,33,41)(H,38,42)(H4,34,35,37);2-6,8-12,14-16,18-20,28H,1,7,13,17,33H2,(H,38,41)(H4,34,35,37);1-4,6-9,11-14,16-19,27H,5,10,15H2,(H2,32,40)(H4,33,34,36)(H,35,37,41);3,5-6,8-13,15-16,24H,4,7,14H2,1-2H3,(H2,29,36)(H,33,37)(H4,30,31,32)/t32-;31-;2*29-;4*28-;27-;24-/m0000000000/s1
InChIKeyANZRNOJASSQNLY-IBBYLICBSA-N
XLogP42.88
TPSA1713.24 Ų
H-Bond Donors39
H-Bond Acceptors69
Rotatable Bonds117
Heavy Atoms434
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005830.75
LogP ≤ 542.88
H-Bond Donors ≤ 539
H-Bond Acceptors ≤ 1069

Analyze 1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide?
The IUPAC name of 1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide (CID 157175921) is 1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide.
What is the SMILES notation for 1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide?
The canonical SMILES for 1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide is C=C(N)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)Nc3cccnc3)ccc21.CC(C)(C)c1ccc(NC(=O)c2ccc3c(c2)nc(-c2cccc(Oc4ccccc4)c2)n3[C@@H](CCCN=C(N)N)C(N)=O)cc1.COc1ccc(NC(=O)c2ccc3c(c2)nc(-c2cccc(OC)c2)n3[C@@H](CCCN=C(N)N)C(N)=O)cc1.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)N3CCN(c4cccc(F)c4)CC3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCCc3cccnc3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCCc3ccncc3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCc3ccccn3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCc3cccnc3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCc3ccncc3)ccc21.NC(=O)[C@H](CCCN=C(N)N)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)Nc3ccncc3)ccc21.
What is the InChIKey of 1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide?
The InChIKey is ANZRNOJASSQNLY-IBBYLICBSA-N. The full InChI is InChI=1S/C36H37FN8O3.C36H39N7O3.2C33H34N8O3.3C32H32N8O3.C32H32N8O2.C31H30N8O3.C28H31N7O4/c37-26-8-5-9-27(23-26)43-17-19-44(20-18-43)35(47)25-14-15-31-30(22-25)42-34(45(31)32(33(38)46)13-6-16-41-36(39)40)24-7-4-12-29(21-24)48-28-10-2-1-3-11-28;1-36(2,3)25-15-17-26(18-16-25)41-34(45)24-14-19-30-29(22-24)42-33(43(30)31(32(37)44)13-8-20-40-35(38)39)23-9-7-12-28(21-23)46-27-10-5-4-6-11-27;34-30(42)29(12-6-17-39-33(35)36)41-28-14-13-24(32(43)38-18-15-22-7-5-16-37-21-22)20-27(28)40-31(41)23-8-4-11-26(19-23)44-25-9-2-1-3-10-25;34-30(42)29(10-5-16-39-33(35)36)41-28-12-11-24(32(43)38-19-15-22-13-17-37-18-14-22)21-27(28)40-31(41)23-6-4-9-26(20-23)44-25-7-2-1-3-8-25;33-29(41)28(12-6-16-37-32(34)35)40-27-14-13-23(31(42)38-20-21-7-5-15-36-19-21)18-26(27)39-30(40)22-8-4-11-25(17-22)43-24-9-2-1-3-10-24;33-29(41)28(10-5-15-37-32(34)35)40-27-12-11-23(31(42)38-20-21-13-16-36-17-14-21)19-26(27)39-30(40)22-6-4-9-25(18-22)43-24-7-2-1-3-8-24;33-29(41)28(13-7-17-37-32(34)35)40-27-15-14-22(31(42)38-20-23-9-4-5-16-36-23)19-26(27)39-30(40)21-8-6-12-25(18-21)43-24-10-2-1-3-11-24;1-21(33)28(13-7-17-37-32(34)35)40-29-15-14-23(31(41)38-24-9-6-16-36-20-24)19-27(29)39-30(40)22-8-5-12-26(18-22)42-25-10-3-2-4-11-25;32-28(40)27(10-5-15-36-31(33)34)39-26-12-11-21(30(41)37-22-13-16-35-17-14-22)19-25(26)38-29(39)20-6-4-9-24(18-20)42-23-7-2-1-3-8-23;1-38-20-11-9-19(10-12-20)33-27(37)18-8-13-23-22(16-18)34-26(17-5-3-6-21(15-17)39-2)35(23)24(25(29)36)7-4-14-32-28(30)31/h1-5,7-12,14-15,21-23,32H,6,13,16-20H2,(H2,38,46)(H4,39,40,41);4-7,9-12,14-19,21-22,31H,8,13,20H2,1-3H3,(H2,37,44)(H,41,45)(H4,38,39,40);1-5,7-11,13-14,16,19-21,29H,6,12,15,17-18H2,(H2,34,42)(H,38,43)(H4,35,36,39);1-4,6-9,11-14,17-18,20-21,29H,5,10,15-16,19H2,(H2,34,42)(H,38,43)(H4,35,36,39);1-5,7-11,13-15,17-19,28H,6,12,16,20H2,(H2,33,41)(H,38,42)(H4,34,35,37);1-4,6-9,11-14,16-19,28H,5,10,15,20H2,(H2,33,41)(H,38,42)(H4,34,35,37);1-6,8-12,14-16,18-19,28H,7,13,17,20H2,(H2,33,41)(H,38,42)(H4,34,35,37);2-6,8-12,14-16,18-20,28H,1,7,13,17,33H2,(H,38,41)(H4,34,35,37);1-4,6-9,11-14,16-19,27H,5,10,15H2,(H2,32,40)(H4,33,34,36)(H,35,37,41);3,5-6,8-13,15-16,24H,4,7,14H2,1-2H3,(H2,29,36)(H,33,37)(H4,30,31,32)/t32-;31-;2*29-;4*28-;27-;24-/m0000000000/s1.
What are the key properties of 1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide?
1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide has a molecular weight of 5830.75 g/mol, XLogP of 42.88, 117 rotatable bonds, 39 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-2-amino-6-(diaminomethylideneamino)hex-1-en-3-yl]-2-(3-phenoxyphenyl)-N-pyridin-3-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-tert-butylphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-methoxyphenyl)-N-(4-methoxyphenyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-pyridin-4-ylbenzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-3-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide;1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(3-phenoxyphenyl)-N-(pyridin-4-ylmethyl)benzimidazole-5-carboxamide;(2S)-5-(diaminomethylideneamino)-2-[5-[4-(3-fluorophenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide is sourced from PubChem (CID 157175921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).