C134H114Br2N28O7 — CID 157184824
2-[4-(6-amino-1H-benzimidazol-2-yl)butyl]-3H-benzimidazol-5-amine;5-amino-2-[4-(1H-benzimidazol-2-yl)phenyl]isoindole-1,3-dione;2-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine;N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromo-4-ethoxybenzamide;3-bromo-N-[4-(3H-indol-2-yl)phenyl]benzamide;N-[4-[6-(propanoylamino)-3H-indol-2-yl]phenyl]propanamide;2-pyridin-3-yl-3H-benzimidazol-5-amine (PubChem CID 157184824) has the molecular formula C134H114Br2N28O7 and a molecular weight of 2388.38 g/mol. Its IUPAC name is 2-[4-(6-amino-1H-benzimidazol-2-yl)butyl]-3H-benzimidazol-5-amine;5-amino-2-[4-(1H-benzimidazol-2-yl)phenyl]isoindole-1,3-dione;2-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine;N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromo-4-ethoxybenzamide;3-bromo-N-[4-(3H-indol-2-yl)phenyl]benzamide;N-[4-[6-(propanoylamino)-3H-indol-2-yl]phenyl]propanamide;2-pyridin-3-yl-3H-benzimidazol-5-amine.
| Compound Name | 2-[4-(6-amino-1H-benzimidazol-2-yl)butyl]-3H-benzimidazol-5-amine;5-amino-2-[4-(1H-benzimidazol-2-yl)phenyl]isoindole-1,3-dione;2-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine;N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromo-4-ethoxybenzamide;3-bromo-N-[4-(3H-indol-2-yl)phenyl]benzamide;N-[4-[6-(propanoylamino)-3H-indol-2-yl]phenyl]propanamide;2-pyridin-3-yl-3H-benzimidazol-5-amine |
|---|---|
| PubChem CID | 157184824 |
| Molecular Formula | C134H114Br2N28O7 |
| Molecular Weight | 2388.38 g/mol |
| Exact Mass | 2384.78 |
| IUPAC Name | 2-[4-(6-amino-1H-benzimidazol-2-yl)butyl]-3H-benzimidazol-5-amine;5-amino-2-[4-(1H-benzimidazol-2-yl)phenyl]isoindole-1,3-dione;2-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-amine;N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromo-4-ethoxybenzamide;3-bromo-N-[4-(3H-indol-2-yl)phenyl]benzamide;N-[4-[6-(propanoylamino)-3H-indol-2-yl]phenyl]propanamide;2-pyridin-3-yl-3H-benzimidazol-5-amine |
| SMILES | CCC(=O)Nc1ccc(C2=Nc3cc(NC(=O)CC)ccc3C2)cc1.CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Br.Nc1ccc(-c2nc3ccc(-c4nc5ccc(N)cc5[nH]4)cc3[nH]2)cc1.Nc1ccc2c(c1)C(=O)N(c1ccc(-c3nc4ccccc4[nH]3)cc1)C2=O.Nc1ccc2nc(-c3cccnc3)[nH]c2c1.Nc1ccc2nc(CCCCc3nc4ccc(N)cc4[nH]3)[nH]c2c1.O=C(Nc1ccc(C2=Nc3ccccc3C2)cc1)c1cccc(Br)c1 |
| InChI | InChI=1S/C22H18BrN3O2.C21H15BrN2O.C21H14N4O2.C20H16N6.C20H21N3O2.C18H20N6.C12H10N4/c1-2-28-20-12-9-15(13-17(20)23)22(27)24-16-10-7-14(8-11-16)21-25-18-5-3-4-6-19(18)26-21;22-17-6-3-5-16(12-17)21(25)23-18-10-8-14(9-11-18)20-13-15-4-1-2-7-19(15)24-20;22-13-7-10-15-16(11-13)21(27)25(20(15)26)14-8-5-12(6-9-14)19-23-17-3-1-2-4-18(17)24-19;21-13-4-1-11(2-5-13)19-23-15-7-3-12(9-17(15)25-19)20-24-16-8-6-14(22)10-18(16)26-20;1-3-19(24)21-15-8-5-13(6-9-15)17-11-14-7-10-16(12-18(14)23-17)22-20(25)4-2;19-11-5-7-13-15(9-11)23-17(21-13)3-1-2-4-18-22-14-8-6-12(20)10-16(14)24-18;13-9-3-4-10-11(6-9)16-12(15-10)8-2-1-5-14-7-8/h3-13H,2H2,1H3,(H,24,27)(H,25,26);1-12H,13H2,(H,23,25);1-11H,22H2,(H,23,24);1-10H,21-22H2,(H,23,25)(H,24,26);5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,25);5-10H,1-4,19-20H2,(H,21,23)(H,22,24);1-7H,13H2,(H,15,16) |
| InChIKey | AOZNPYXHTMZFNS-UHFFFAOYSA-N |
| XLogP | 28.01 |
| TPSA | 557.50 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 171 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2388.38 |
| LogP ≤ 5 | 28.01 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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