N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide

C156H191N41O12 — CID 160542563

About N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide

N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide (PubChem CID 160542563) has the molecular formula C156H191N41O12 and a molecular weight of 2832.52 g/mol. Its IUPAC name is N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
• PubChem CID: 160542563
• Molecular Formula: C156H191N41O12
• Molecular Weight: 2832.52 g/mol
• Exact Mass: 2830.56
• IUPAC Name: N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
• SMILES: C#CCCCCN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)NCCN(C)C)cc6)[nH]c5c4)cc3[nH]2)cc1.CCCN(CC(=O)N(CCCN=[N+]=[N-])CC(N)=O)C(=O)CCCCCN=[N+]=[N-].CCCN(CC(=O)N(CCCn1cc(CCCCN(C)CCNC(=O)c2ccc(-c3nc4cc(-c5ccc6c(c5)N=C(c5ccc(C(=O)NCCN(C)C)cc5)C6)ccc4[nH]3)cc2)nn1)CC(N)=O)C(=O)CCCCCn1cc(CCCCN(C)CCNC(=O)c2ccc(-c3nc4cc(-c5ccc6[nH]c(-c7ccc(C(=O)NCCN(C)C)cc7)nc6c5)ccc4[nH]3)cc2)nn1
• InChI: InChI=1S/C99H118N24O7.C41H44N8O2.C16H29N9O3/c1-8-48-120(91(125)19-10-9-13-52-122-63-80(112-114-122)17-11-14-49-118(6)56-46-103-99(130)74-34-26-70(27-35-74)95-108-84-43-40-78(61-89(84)111-95)77-39-42-83-88(60-77)110-94(107-83)68-22-30-72(31-23-68)97(128)102-45-55-117(4)5)66-92(126)121(65-90(100)124)51-16-53-123-64-81(113-115-123)18-12-15-50-119(7)57-47-104-98(129)73-32-24-69(25-33-73)93-106-82-41-38-76(59-87(82)109-93)75-36-37-79-62-85(105-86(79)58-75)67-20-28-71(29-21-67)96(127)101-44-54-116(2)3;1-5-6-7-8-23-49(4)25-22-43-41(51)31-15-11-29(12-16-31)39-45-35-20-18-33(27-37(35)47-39)32-17-19-34-36(26-32)46-38(44-34)28-9-13-30(14-10-28)40(50)42-21-24-48(2)3;1-2-10-24(15(27)7-4-3-5-8-20-22-18)13-16(28)25(12-14(17)26)11-6-9-21-23-19/h20-43,58-61,63-64H,8-19,44-57,62,65-66H2,1-7H3,(H2,100,124)(H,101,127)(H,102,128)(H,103,130)(H,104,129)(H,106,109)(H,107,110)(H,108,111);1,9-20,26-27H,6-8,21-25H2,2-4H3,(H,42,50)(H,43,51)(H,44,46)(H,45,47);2-13H2,1H3,(H2,17,26)
• InChIKey: QWZFFBVUVLJMJO-UHFFFAOYSA-N
• XLogP: 19.97
• TPSA: 676.16 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 32
• Rotatable Bonds: 79
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2832.52
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?

The IUPAC name of N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide (CID 160542563) is N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide.

What is the SMILES notation for N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?

The canonical SMILES for N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide is C#CCCCCN(C)CCNC(=O)c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C(=O)NCCN(C)C)cc6)[nH]c5c4)cc3[nH]2)cc1.CCCN(CC(=O)N(CCCN=[N+]=[N-])CC(N)=O)C(=O)CCCCCN=[N+]=[N-].CCCN(CC(=O)N(CCCn1cc(CCCCN(C)CCNC(=O)c2ccc(-c3nc4cc(-c5ccc6c(c5)N=C(c5ccc(C(=O)NCCN(C)C)cc5)C6)ccc4[nH]3)cc2)nn1)CC(N)=O)C(=O)CCCCCn1cc(CCCCN(C)CCNC(=O)c2ccc(-c3nc4cc(-c5ccc6[nH]c(-c7ccc(C(=O)NCCN(C)C)cc7)nc6c5)ccc4[nH]3)cc2)nn1.

What is the InChIKey of N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?

The InChIKey is QWZFFBVUVLJMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H118N24O7.C41H44N8O2.C16H29N9O3/c1-8-48-120(91(125)19-10-9-13-52-122-63-80(112-114-122)17-11-14-49-118(6)56-46-103-99(130)74-34-26-70(27-35-74)95-108-84-43-40-78(61-89(84)111-95)77-39-42-83-88(60-77)110-94(107-83)68-22-30-72(31-23-68)97(128)102-45-55-117(4)5)66-92(126)121(65-90(100)124)51-16-53-123-64-81(113-115-123)18-12-15-50-119(7)57-47-104-98(129)73-32-24-69(25-33-73)93-106-82-41-38-76(59-87(82)109-93)75-36-37-79-62-85(105-86(79)58-75)67-20-28-71(29-21-67)96(127)101-44-54-116(2)3;1-5-6-7-8-23-49(4)25-22-43-41(51)31-15-11-29(12-16-31)39-45-35-20-18-33(27-37(35)47-39)32-17-19-34-36(26-32)46-38(44-34)28-9-13-30(14-10-28)40(50)42-21-24-48(2)3;1-2-10-24(15(27)7-4-3-5-8-20-22-18)13-16(28)25(12-14(17)26)11-6-9-21-23-19/h20-43,58-61,63-64H,8-19,44-57,62,65-66H2,1-7H3,(H2,100,124)(H,101,127)(H,102,128)(H,103,130)(H,104,129)(H,106,109)(H,107,110)(H,108,111);1,9-20,26-27H,6-8,21-25H2,2-4H3,(H,42,50)(H,43,51)(H,44,46)(H,45,47);2-13H2,1H3,(H2,17,26).

What are the key properties of N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide?

N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide has a molecular weight of 2832.52 g/mol, XLogP of 19.97, 79 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2-amino-2-oxoethyl)-(3-azidopropyl)amino]-2-oxoethyl]-6-azido-N-propylhexanamide;4-[6-[2-[4-[2-[4-[1-[3-[(2-amino-2-oxoethyl)-[2-[6-[4-[4-[2-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]ethyl-methylamino]butyl]triazol-1-yl]hexanoyl-propylamino]acetyl]amino]propyl]triazol-4-yl]butyl-methylamino]ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[6-[2-[4-[2-[hex-5-ynyl(methyl)amino]ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 160542563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).