C183H232N30O6 — CID 159395560
4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide;4-[[benzyl-[3-[bis(2-methylpropyl)amino]propyl]amino]methyl]-N'-(2-methylpropyl)-N'-phenylbenzohydrazide;4-[[benzyl-[3-(diethylamino)propyl]amino]methyl]-N'-ethyl-N'-phenylbenzohydrazide;4-[[benzyl-[3-(diethylamino)propyl]amino]methyl]-N'-phenylbenzohydrazide;4-[[benzyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]-N'-phenylbenzohydrazide;4-[[3-[bis(2-methylpropyl)amino]propylamino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide (PubChem CID 159395560) has the molecular formula C183H232N30O6 and a molecular weight of 2948.07 g/mol. Its IUPAC name is 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide;4-[[benzyl-[3-[bis(2-methylpropyl)amino]propyl]amino]methyl]-N'-(2-methylpropyl)-N'-phenylbenzohydrazide;4-[[benzyl-[3-(diethylamino)propyl]amino]methyl]-N'-ethyl-N'-phenylbenzohydrazide;4-[[benzyl-[3-(diethylamino)propyl]amino]methyl]-N'-phenylbenzohydrazide;4-[[benzyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]-N'-phenylbenzohydrazide;4-[[3-[bis(2-methylpropyl)amino]propylamino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide.
| Compound Name | 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide;4-[[benzyl-[3-[bis(2-methylpropyl)amino]propyl]amino]methyl]-N'-(2-methylpropyl)-N'-phenylbenzohydrazide;4-[[benzyl-[3-(diethylamino)propyl]amino]methyl]-N'-ethyl-N'-phenylbenzohydrazide;4-[[benzyl-[3-(diethylamino)propyl]amino]methyl]-N'-phenylbenzohydrazide;4-[[benzyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]-N'-phenylbenzohydrazide;4-[[3-[bis(2-methylpropyl)amino]propylamino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide |
|---|---|
| PubChem CID | 159395560 |
| Molecular Formula | C183H232N30O6 |
| Molecular Weight | 2948.07 g/mol |
| Exact Mass | 2945.88 |
| IUPAC Name | 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide;4-[[benzyl-[3-[bis(2-methylpropyl)amino]propyl]amino]methyl]-N'-(2-methylpropyl)-N'-phenylbenzohydrazide;4-[[benzyl-[3-(diethylamino)propyl]amino]methyl]-N'-ethyl-N'-phenylbenzohydrazide;4-[[benzyl-[3-(diethylamino)propyl]amino]methyl]-N'-phenylbenzohydrazide;4-[[benzyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]-N'-phenylbenzohydrazide;4-[[3-[bis(2-methylpropyl)amino]propylamino]methyl]-N'-(1H-imidazol-2-ylmethyl)-N'-phenylbenzohydrazide |
| SMILES | CC(C)CN(CCCN(Cc1ccccc1)Cc1ccc(C(=O)NN(CC(C)C)c2ccccc2)cc1)CC(C)C.CC(C)CN(CCCNCc1ccc(C(=O)NN(Cc2ncc[nH]2)c2ccccc2)cc1)CC(C)C.CCN(CC)CCCN(Cc1ccccc1)Cc1ccc(C(=O)NN(CC)c2ccccc2)cc1.CCN(CC)CCCN(Cc1ccccc1)Cc1ccc(C(=O)NNc2ccccc2)cc1.CN(NC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1)c1ccccc1.O=C(NNc1ccccc1)c1ccc(CN(CCCNc2ncccn2)Cc2ccccc2)cc1 |
| InChI | InChI=1S/C36H52N4O.C32H32N6O.C30H40N4O.C29H42N6O.C28H30N6O.C28H36N4O/c1-29(2)24-38(25-30(3)4)22-13-23-39(27-32-14-9-7-10-15-32)28-33-18-20-34(21-19-33)36(41)37-40(26-31(5)6)35-16-11-8-12-17-35;1-37(26-11-3-2-4-12-26)36-32(39)25-18-16-23(17-19-25)21-38(22-30-34-27-13-5-6-14-28(27)35-30)29-15-7-9-24-10-8-20-33-31(24)29;1-4-32(5-2)22-13-23-33(24-26-14-9-7-10-15-26)25-27-18-20-28(21-19-27)30(35)31-34(6-3)29-16-11-8-12-17-29;1-23(2)20-34(21-24(3)4)18-8-15-30-19-25-11-13-26(14-12-25)29(36)33-35(22-28-31-16-17-32-28)27-9-6-5-7-10-27;35-27(33-32-26-11-5-2-6-12-26)25-15-13-24(14-16-25)22-34(21-23-9-3-1-4-10-23)20-8-19-31-28-29-17-7-18-30-28;1-3-31(4-2)20-11-21-32(22-24-12-7-5-8-13-24)23-25-16-18-26(19-17-25)28(33)30-29-27-14-9-6-10-15-27/h7-12,14-21,29-31H,13,22-28H2,1-6H3,(H,37,41);2-6,8,10-14,16-20,29H,7,9,15,21-22H2,1H3,(H,34,35)(H,36,39);7-12,14-21H,4-6,13,22-25H2,1-3H3,(H,31,35);5-7,9-14,16-17,23-24,30H,8,15,18-22H2,1-4H3,(H,31,32)(H,33,36);1-7,9-18,32H,8,19-22H2,(H,33,35)(H,29,30,31);5-10,12-19,29H,3-4,11,20-23H2,1-2H3,(H,30,33) |
| InChIKey | LMQYFEFHLPMKHF-UHFFFAOYSA-N |
| XLogP | 33.68 |
| TPSA | 360.87 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 79 |
| Heavy Atoms | 219 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2948.07 |
| LogP ≤ 5 | 33.68 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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