N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine

C246H301ClN48O10S — CID 159352436

About N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine

N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine (PubChem CID 159352436) has the molecular formula C246H301ClN48O10S and a molecular weight of 4157.96 g/mol. Its IUPAC name is N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine
• PubChem CID: 159352436
• Molecular Formula: C246H301ClN48O10S
• Molecular Weight: 4157.96 g/mol
• Exact Mass: 4154.39
• IUPAC Name: N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine
• SMILES: CC(NCCN(CCNC(C)c1ccccn1)Cc1ccc(CNCCc2cccc(Cl)c2)cc1)c1ccccn1.CC(NCCN(CCNC(C)c1ccccn1)Cc1ccc(CNCc2nc3ccccc3[nH]2)cc1)c1ccccn1.COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(CN(CCNCc2ccccn2)CCN(CCO)Cc2ccccn2)cc1)C3.COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(S(=O)(=O)N(CCNCc2ccccn2)CCNCc2ccccn2)cc1)C3.Cc1cccc2c(CCNCc3ccc(CN(CCNC(C)c4ccccn4)CCNC(C)c4ccccn4)cc3)c[nH]c12.O=C(O)[C@H](Cc1c[nH]c2ccc(O)cc12)NCc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1.O=C(O)[C@H](Cc1ccccc1)NCc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1
• InChI: InChI=1S/C38H47N7O2.C37H47N7.C35H41N7O3S.C35H41N7O3.C34H43ClN6.C34H42N8.C33H40N6O2/c1-47-34-12-13-37-36(24-34)35-14-18-45(29-38(35)42-37)27-31-10-8-30(9-11-31)26-43(19-17-39-25-32-6-2-4-15-40-32)20-21-44(22-23-46)28-33-7-3-5-16-41-33;1-28-9-8-10-34-33(26-43-37(28)34)17-20-38-25-31-13-15-32(16-14-31)27-44(23-21-39-29(2)35-11-4-6-18-41-35)24-22-40-30(3)36-12-5-7-19-42-36;1-45-30-10-13-34-33(22-30)32-14-19-41(26-35(32)40-34)25-27-8-11-31(12-9-27)46(43,44)42(20-17-36-23-28-6-2-4-15-38-28)21-18-37-24-29-7-3-5-16-39-29;43-31-11-12-33-32(20-31)28(22-41-33)19-34(35(44)45)40-21-26-7-9-27(10-8-26)25-42(17-15-36-23-29-5-1-3-13-38-29)18-16-37-24-30-6-2-4-14-39-30;1-27(33-10-3-5-17-39-33)37-20-22-41(23-21-38-28(2)34-11-4-6-18-40-34)26-31-14-12-30(13-15-31)25-36-19-16-29-8-7-9-32(35)24-29;1-26(30-9-5-7-17-38-30)36-19-21-42(22-20-37-27(2)31-10-6-8-18-39-31)25-29-15-13-28(14-16-29)23-35-24-34-40-32-11-3-4-12-33(32)41-34;40-33(41)32(22-27-8-2-1-3-9-27)38-23-28-12-14-29(15-13-28)26-39(20-18-34-24-30-10-4-6-16-36-30)21-19-35-25-31-11-5-7-17-37-31/h2-13,15-16,24,39,42,46H,14,17-23,25-29H2,1H3;4-16,18-19,26,29-30,38-40,43H,17,20-25,27H2,1-3H3;2-13,15-16,22,36-37,40H,14,17-21,23-26H2,1H3;1-14,20,22,34,36-37,40-41,43H,15-19,21,23-25H2,(H,44,45);3-15,17-18,24,27-28,36-38H,16,19-23,25-26H2,1-2H3;3-18,26-27,35-37H,19-25H2,1-2H3,(H,40,41);1-17,32,34-35,38H,18-26H2,(H,40,41)/t;;;34-;;;32-/m...0..0/s1
• InChIKey: LHMNZSWKJUQFIA-YHULDORXSA-N
• XLogP: 33.39
• TPSA: 688.90 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 50
• Rotatable Bonds: 118
• Heavy Atoms: 306
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4157.96
LogP ≤ 5	33.39
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine?

The IUPAC name of N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine (CID 159352436) is N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine.

What is the SMILES notation for N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine?

The canonical SMILES for N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine is CC(NCCN(CCNC(C)c1ccccn1)Cc1ccc(CNCCc2cccc(Cl)c2)cc1)c1ccccn1.CC(NCCN(CCNC(C)c1ccccn1)Cc1ccc(CNCc2nc3ccccc3[nH]2)cc1)c1ccccn1.COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(CN(CCNCc2ccccn2)CCN(CCO)Cc2ccccn2)cc1)C3.COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(S(=O)(=O)N(CCNCc2ccccn2)CCNCc2ccccn2)cc1)C3.Cc1cccc2c(CCNCc3ccc(CN(CCNC(C)c4ccccn4)CCNC(C)c4ccccn4)cc3)c[nH]c12.O=C(O)[C@H](Cc1c[nH]c2ccc(O)cc12)NCc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1.O=C(O)[C@H](Cc1ccccc1)NCc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1.

What is the InChIKey of N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine?

The InChIKey is LHMNZSWKJUQFIA-YHULDORXSA-N. The full InChI is InChI=1S/C38H47N7O2.C37H47N7.C35H41N7O3S.C35H41N7O3.C34H43ClN6.C34H42N8.C33H40N6O2/c1-47-34-12-13-37-36(24-34)35-14-18-45(29-38(35)42-37)27-31-10-8-30(9-11-31)26-43(19-17-39-25-32-6-2-4-15-40-32)20-21-44(22-23-46)28-33-7-3-5-16-41-33;1-28-9-8-10-34-33(26-43-37(28)34)17-20-38-25-31-13-15-32(16-14-31)27-44(23-21-39-29(2)35-11-4-6-18-41-35)24-22-40-30(3)36-12-5-7-19-42-36;1-45-30-10-13-34-33(22-30)32-14-19-41(26-35(32)40-34)25-27-8-11-31(12-9-27)46(43,44)42(20-17-36-23-28-6-2-4-15-38-28)21-18-37-24-29-7-3-5-16-39-29;43-31-11-12-33-32(20-31)28(22-41-33)19-34(35(44)45)40-21-26-7-9-27(10-8-26)25-42(17-15-36-23-29-5-1-3-13-38-29)18-16-37-24-30-6-2-4-14-39-30;1-27(33-10-3-5-17-39-33)37-20-22-41(23-21-38-28(2)34-11-4-6-18-40-34)26-31-14-12-30(13-15-31)25-36-19-16-29-8-7-9-32(35)24-29;1-26(30-9-5-7-17-38-30)36-19-21-42(22-20-37-27(2)31-10-6-8-18-39-31)25-29-15-13-28(14-16-29)23-35-24-34-40-32-11-3-4-12-33(32)41-34;40-33(41)32(22-27-8-2-1-3-9-27)38-23-28-12-14-29(15-13-28)26-39(20-18-34-24-30-10-4-6-16-36-30)21-19-35-25-31-11-5-7-17-37-31/h2-13,15-16,24,39,42,46H,14,17-23,25-29H2,1H3;4-16,18-19,26,29-30,38-40,43H,17,20-25,27H2,1-3H3;2-13,15-16,22,36-37,40H,14,17-21,23-26H2,1H3;1-14,20,22,34,36-37,40-41,43H,15-19,21,23-25H2,(H,44,45);3-15,17-18,24,27-28,36-38H,16,19-23,25-26H2,1-2H3;3-18,26-27,35-37H,19-25H2,1-2H3,(H,40,41);1-17,32,34-35,38H,18-26H2,(H,40,41)/t;;;34-;;;32-/m...0..0/s1.

What are the key properties of N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine?

N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 4157.96 g/mol, XLogP of 33.39, 118 rotatable bonds, 27 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[[4-[(1H-benzimidazol-2-ylmethylamino)methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-3-phenylpropanoic acid;N'-[[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]-N,N-bis[2-(pyridin-2-ylmethylamino)ethyl]benzenesulfonamide;2-[2-[[4-[(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl-[2-(pyridin-2-ylmethylamino)ethyl]amino]ethyl-(pyridin-2-ylmethyl)amino]ethanol;N'-[[4-[[2-(7-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]methyl]-N-(1-pyridin-2-ylethyl)-N'-[2-(1-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 159352436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).