C176H275N49O7 — CID 158025148
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]decanamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]dodecanamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-hexylbenzamide;(Z)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]octadec-9-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide (PubChem CID 158025148) has the molecular formula C176H275N49O7 and a molecular weight of 3189.47 g/mol. Its IUPAC name is N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]decanamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]dodecanamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-hexylbenzamide;(Z)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]octadec-9-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide.
| Compound Name | N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]decanamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]dodecanamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-hexylbenzamide;(Z)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]octadec-9-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide |
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| PubChem CID | 158025148 |
| Molecular Formula | C176H275N49O7 |
| Molecular Weight | 3189.47 g/mol |
| Exact Mass | 3187.27 |
| IUPAC Name | N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]decanamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]dodecanamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-heptylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-hexylbenzamide;(Z)-N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]octadec-9-enamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]-4-phenylbenzamide |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)NCCn1cc(CCCCCc2cnc(N)[nH]2)nn1.CCCCCCCCCC(=O)NCCn1cc(CCCCCc2cnc(N)[nH]2)nn1.CCCCCCCCCCCC(=O)NCCn1cc(CCCCCc2cnc(N)[nH]2)nn1.CCCCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cnc(N)[nH]3)nn2)cc1.Nc1ncc(CCCCCc2cn(CCNC(=O)c3ccc(-c4ccccc4)cc3)nn2)[nH]1 |
| InChI | InChI=1S/C30H53N7O.C26H39N7O.C25H29N7O.C25H37N7O.C24H35N7O.C24H43N7O.C22H39N7O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29(38)32-23-24-37-26-28(35-36-37)21-18-16-17-20-27-25-33-30(31)34-27;1-2-3-4-5-7-10-21-13-15-22(16-14-21)25(34)28-17-18-33-20-24(31-32-33)12-9-6-8-11-23-19-29-26(27)30-23;26-25-28-17-22(29-25)9-5-2-6-10-23-18-32(31-30-23)16-15-27-24(33)21-13-11-20(12-14-21)19-7-3-1-4-8-19;1-2-3-4-6-9-20-12-14-21(15-13-20)24(33)27-16-17-32-19-23(30-31-32)11-8-5-7-10-22-18-28-25(26)29-22;1-2-3-5-8-19-11-13-20(14-12-19)23(32)26-15-16-31-18-22(29-30-31)10-7-4-6-9-21-17-27-24(25)28-21;1-2-3-4-5-6-7-8-9-13-16-23(32)26-17-18-31-20-22(29-30-31)15-12-10-11-14-21-19-27-24(25)28-21;1-2-3-4-5-6-7-11-14-21(30)24-15-16-29-18-20(27-28-29)13-10-8-9-12-19-17-25-22(23)26-19/h9-10,25-26H,2-8,11-24H2,1H3,(H,32,38)(H3,31,33,34);13-16,19-20H,2-12,17-18H2,1H3,(H,28,34)(H3,27,29,30);1,3-4,7-8,11-14,17-18H,2,5-6,9-10,15-16H2,(H,27,33)(H3,26,28,29);12-15,18-19H,2-11,16-17H2,1H3,(H,27,33)(H3,26,28,29);11-14,17-18H,2-10,15-16H2,1H3,(H,26,32)(H3,25,27,28);19-20H,2-18H2,1H3,(H,26,32)(H3,25,27,28);17-18H,2-16H2,1H3,(H,24,30)(H3,23,25,26)/b10-9-;;;;;; |
| InChIKey | FGNDLFHTZCNHBG-XZABIIKCSA-N |
| XLogP | 30.98 |
| TPSA | 801.57 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 116 |
| Heavy Atoms | 232 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3189.47 |
| LogP ≤ 5 | 30.98 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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