C126H156N38O11S — CID 160909008
2-(benzylamino)-1H-benzimidazole-4-carboxamide;2-[2-(diethylamino)ethylamino]-1H-benzimidazole-4-carboxamide;2-(dimethylamino)-1H-benzimidazole-4-carboxamide;ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperazine-1-carboxylate;methane;2-(methylamino)-1H-benzimidazole-4-carboxamide;2-methyl-1H-benzimidazole-4-carboxamide;2-[methyl(2-phenylethyl)amino]-1H-benzimidazole-4-carboxamide;2-(4-phenylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(2-thiophen-2-ylethylamino)-1H-benzimidazole-4-carboxamide (PubChem CID 160909008) has the molecular formula C126H156N38O11S and a molecular weight of 2410.96 g/mol. Its IUPAC name is 2-(benzylamino)-1H-benzimidazole-4-carboxamide;2-[2-(diethylamino)ethylamino]-1H-benzimidazole-4-carboxamide;2-(dimethylamino)-1H-benzimidazole-4-carboxamide;ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperazine-1-carboxylate;methane;2-(methylamino)-1H-benzimidazole-4-carboxamide;2-methyl-1H-benzimidazole-4-carboxamide;2-[methyl(2-phenylethyl)amino]-1H-benzimidazole-4-carboxamide;2-(4-phenylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(2-thiophen-2-ylethylamino)-1H-benzimidazole-4-carboxamide.
| Compound Name | 2-(benzylamino)-1H-benzimidazole-4-carboxamide;2-[2-(diethylamino)ethylamino]-1H-benzimidazole-4-carboxamide;2-(dimethylamino)-1H-benzimidazole-4-carboxamide;ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperazine-1-carboxylate;methane;2-(methylamino)-1H-benzimidazole-4-carboxamide;2-methyl-1H-benzimidazole-4-carboxamide;2-[methyl(2-phenylethyl)amino]-1H-benzimidazole-4-carboxamide;2-(4-phenylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(2-thiophen-2-ylethylamino)-1H-benzimidazole-4-carboxamide |
|---|---|
| PubChem CID | 160909008 |
| Molecular Formula | C126H156N38O11S |
| Molecular Weight | 2410.96 g/mol |
| Exact Mass | 2409.25 |
| IUPAC Name | 2-(benzylamino)-1H-benzimidazole-4-carboxamide;2-[2-(diethylamino)ethylamino]-1H-benzimidazole-4-carboxamide;2-(dimethylamino)-1H-benzimidazole-4-carboxamide;ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)piperazine-1-carboxylate;methane;2-(methylamino)-1H-benzimidazole-4-carboxamide;2-methyl-1H-benzimidazole-4-carboxamide;2-[methyl(2-phenylethyl)amino]-1H-benzimidazole-4-carboxamide;2-(4-phenylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide;2-(2-thiophen-2-ylethylamino)-1H-benzimidazole-4-carboxamide |
| SMILES | C.C.C.C.C.CCN(CC)CCNc1nc2c(C(N)=O)cccc2[nH]1.CCOC(=O)N1CCN(c2nc3c(C(N)=O)cccc3[nH]2)CC1.CN(C)c1nc2c(C(N)=O)cccc2[nH]1.CN(CCc1ccccc1)c1nc2c(C(N)=O)cccc2[nH]1.CNc1nc2c(C(N)=O)cccc2[nH]1.Cc1nc2c(C(N)=O)cccc2[nH]1.NC(=O)c1cccc2[nH]c(N3CCN(c4ccccc4)CC3)nc12.NC(=O)c1cccc2[nH]c(NCCc3cccs3)nc12.NC(=O)c1cccc2[nH]c(NCc3ccccc3)nc12 |
| InChI | InChI=1S/C18H19N5O.C17H18N4O.C15H19N5O3.C15H14N4O.C14H21N5O.C14H14N4OS.C10H12N4O.C9H10N4O.C9H9N3O.5CH4/c19-17(24)14-7-4-8-15-16(14)21-18(20-15)23-11-9-22(10-12-23)13-5-2-1-3-6-13;1-21(11-10-12-6-3-2-4-7-12)17-19-14-9-5-8-13(16(18)22)15(14)20-17;1-2-23-15(22)20-8-6-19(7-9-20)14-17-11-5-3-4-10(13(16)21)12(11)18-14;16-14(20)11-7-4-8-12-13(11)19-15(18-12)17-9-10-5-2-1-3-6-10;1-3-19(4-2)9-8-16-14-17-11-7-5-6-10(13(15)20)12(11)18-14;15-13(19)10-4-1-5-11-12(10)18-14(17-11)16-7-6-9-3-2-8-20-9;1-14(2)10-12-7-5-3-4-6(9(11)15)8(7)13-10;1-11-9-12-6-4-2-3-5(8(10)14)7(6)13-9;1-5-11-7-4-2-3-6(9(10)13)8(7)12-5;;;;;/h1-8H,9-12H2,(H2,19,24)(H,20,21);2-9H,10-11H2,1H3,(H2,18,22)(H,19,20);3-5H,2,6-9H2,1H3,(H2,16,21)(H,17,18);1-8H,9H2,(H2,16,20)(H2,17,18,19);5-7H,3-4,8-9H2,1-2H3,(H2,15,20)(H2,16,17,18);1-5,8H,6-7H2,(H2,15,19)(H2,16,17,18);3-5H,1-2H3,(H2,11,15)(H,12,13);2-4H,1H3,(H2,10,14)(H2,11,12,13);2-4H,1H3,(H2,10,13)(H,11,12);5*1H4 |
| InChIKey | SQNHWNXIXFNNSZ-UHFFFAOYSA-N |
| XLogP | 16.92 |
| TPSA | 743.03 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 176 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2410.96 |
| LogP ≤ 5 | 16.92 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 31 |