C246H363N81O53 — CID 158748551
2-N-(2-acetamidoethyl)-5-N-(furan-2-ylmethyl)-1H-imidazole-2,5-dicarboxamide;2-N-(2-acetamidoethyl)-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-(2-cyclohexyloxyethyl)-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-(3-cyclohexyloxypropyl)-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;5-N-(furan-2-ylmethyl)-2-N-hexyl-1H-imidazole-2,5-dicarboxamide;2-N-heptyl-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-hexyl-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-hexyl-5-N-(pyridin-2-ylmethyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(6-methylheptyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(3-methylpentyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(2-phenoxyethyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(3-phenoxypropyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(4-propan-2-yloxybutyl)-1H-imidazole-2,5-dicarboxamide;2-N-[2-(prop-1-en-2-ylamino)ethyl]-5-N-(pyridin-2-ylmethyl)-1H-imidazole-2,5-dicarboxamide (PubChem CID 158748551) has the molecular formula C246H363N81O53 and a molecular weight of 5303.12 g/mol. Its IUPAC name is 2-N-(2-acetamidoethyl)-5-N-(furan-2-ylmethyl)-1H-imidazole-2,5-dicarboxamide;2-N-(2-acetamidoethyl)-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-(2-cyclohexyloxyethyl)-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-(3-cyclohexyloxypropyl)-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;5-N-(furan-2-ylmethyl)-2-N-hexyl-1H-imidazole-2,5-dicarboxamide;2-N-heptyl-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-hexyl-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-hexyl-5-N-(pyridin-2-ylmethyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(6-methylheptyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(3-methylpentyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(2-phenoxyethyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(3-phenoxypropyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(4-propan-2-yloxybutyl)-1H-imidazole-2,5-dicarboxamide;2-N-[2-(prop-1-en-2-ylamino)ethyl]-5-N-(pyridin-2-ylmethyl)-1H-imidazole-2,5-dicarboxamide.
| Compound Name | 2-N-(2-acetamidoethyl)-5-N-(furan-2-ylmethyl)-1H-imidazole-2,5-dicarboxamide;2-N-(2-acetamidoethyl)-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-(2-cyclohexyloxyethyl)-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-(3-cyclohexyloxypropyl)-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;5-N-(furan-2-ylmethyl)-2-N-hexyl-1H-imidazole-2,5-dicarboxamide;2-N-heptyl-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-hexyl-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-hexyl-5-N-(pyridin-2-ylmethyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(6-methylheptyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(3-methylpentyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(2-phenoxyethyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(3-phenoxypropyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(4-propan-2-yloxybutyl)-1H-imidazole-2,5-dicarboxamide;2-N-[2-(prop-1-en-2-ylamino)ethyl]-5-N-(pyridin-2-ylmethyl)-1H-imidazole-2,5-dicarboxamide |
|---|---|
| PubChem CID | 158748551 |
| Molecular Formula | C246H363N81O53 |
| Molecular Weight | 5303.12 g/mol |
| Exact Mass | 5299.82 |
| IUPAC Name | 2-N-(2-acetamidoethyl)-5-N-(furan-2-ylmethyl)-1H-imidazole-2,5-dicarboxamide;2-N-(2-acetamidoethyl)-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-(2-cyclohexyloxyethyl)-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-(3-cyclohexyloxypropyl)-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;5-N-(furan-2-ylmethyl)-2-N-hexyl-1H-imidazole-2,5-dicarboxamide;2-N-heptyl-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-hexyl-5-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide;2-N-hexyl-5-N-(pyridin-2-ylmethyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(6-methylheptyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(3-methylpentyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(2-phenoxyethyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(3-phenoxypropyl)-1H-imidazole-2,5-dicarboxamide;5-N-[2-(methylamino)-2-oxoethyl]-2-N-(4-propan-2-yloxybutyl)-1H-imidazole-2,5-dicarboxamide;2-N-[2-(prop-1-en-2-ylamino)ethyl]-5-N-(pyridin-2-ylmethyl)-1H-imidazole-2,5-dicarboxamide |
| SMILES | C=C(C)NCCNC(=O)c1ncc(C(=O)NCc2ccccn2)[nH]1.CC(=O)NCCNC(=O)c1ncc(C(=O)NCc2ccco2)[nH]1.CCC(C)CCNC(=O)c1ncc(C(=O)NCC(=O)NC)[nH]1.CCCCCCCNC(=O)c1ncc(C(=O)NCC(=O)NC)[nH]1.CCCCCCNC(=O)c1ncc(C(=O)NCC(=O)NC)[nH]1.CCCCCCNC(=O)c1ncc(C(=O)NCc2ccccn2)[nH]1.CCCCCCNC(=O)c1ncc(C(=O)NCc2ccco2)[nH]1.CCCCCNC(=O)c1ncc(C(=O)NCC(=O)NC)[nH]1.CNC(=O)CNC(=O)c1cnc(C(=O)NC/C=C(\C)CCC=C(C)C)[nH]1.CNC(=O)CNC(=O)c1cnc(C(=O)NCCCCCC(C)C)[nH]1.CNC(=O)CNC(=O)c1cnc(C(=O)NCCCCOC(C)C)[nH]1.CNC(=O)CNC(=O)c1cnc(C(=O)NCCCOC2CCCCC2)[nH]1.CNC(=O)CNC(=O)c1cnc(C(=O)NCCCOc2ccccc2)[nH]1.CNC(=O)CNC(=O)c1cnc(C(=O)NCCNC(C)=O)[nH]1.CNC(=O)CNC(=O)c1cnc(C(=O)NCCOC2CCCCC2)[nH]1.CNC(=O)CNC(=O)c1cnc(C(=O)NCCOc2ccccc2)[nH]1 |
| InChI | InChI=1S/C18H27N5O3.C17H27N5O4.C17H21N5O4.C17H23N5O2.C16H20N6O2.C16H25N5O4.C16H19N5O4.C16H27N5O3.C16H22N4O3.C15H25N5O4.C15H25N5O3.C14H17N5O4.2C14H23N5O3.C13H21N5O3.C12H18N6O4/c1-12(2)6-5-7-13(3)8-9-20-18(26)16-21-10-14(23-16)17(25)22-11-15(24)19-4;2*1-18-14(23)11-21-16(24)13-10-20-15(22-13)17(25)19-8-5-9-26-12-6-3-2-4-7-12;1-2-3-4-6-10-19-17(24)15-20-12-14(22-15)16(23)21-11-13-8-5-7-9-18-13;1-11(2)17-7-8-19-16(24)14-20-10-13(22-14)15(23)21-9-12-5-3-4-6-18-12;2*1-17-13(22)10-20-15(23)12-9-19-14(21-12)16(24)18-7-8-25-11-5-3-2-4-6-11;1-11(2)7-5-4-6-8-18-16(24)14-19-9-12(21-14)15(23)20-10-13(22)17-3;1-2-3-4-5-8-17-16(22)14-18-11-13(20-14)15(21)19-10-12-7-6-9-23-12;1-10(2)24-7-5-4-6-17-15(23)13-18-8-11(20-13)14(22)19-9-12(21)16-3;1-3-4-5-6-7-8-17-15(23)13-18-9-11(20-13)14(22)19-10-12(21)16-2;1-9(20)15-4-5-16-14(22)12-17-8-11(19-12)13(21)18-7-10-3-2-6-23-10;1-4-9(2)5-6-16-14(22)12-17-7-10(19-12)13(21)18-8-11(20)15-3;1-3-4-5-6-7-16-14(22)12-17-8-10(19-12)13(21)18-9-11(20)15-2;1-3-4-5-6-15-13(21)11-16-7-9(18-11)12(20)17-8-10(19)14-2;1-7(19)14-3-4-15-12(22)10-16-5-8(18-10)11(21)17-6-9(20)13-2/h6,8,10H,5,7,9,11H2,1-4H3,(H,19,24)(H,20,26)(H,21,23)(H,22,25);10,12H,2-9,11H2,1H3,(H,18,23)(H,19,25)(H,20,22)(H,21,24);2-4,6-7,10H,5,8-9,11H2,1H3,(H,18,23)(H,19,25)(H,20,22)(H,21,24);5,7-9,12H,2-4,6,10-11H2,1H3,(H,19,24)(H,20,22)(H,21,23);3-6,10,17H,1,7-9H2,2H3,(H,19,24)(H,20,22)(H,21,23);9,11H,2-8,10H2,1H3,(H,17,22)(H,18,24)(H,19,21)(H,20,23);2-6,9H,7-8,10H2,1H3,(H,17,22)(H,18,24)(H,19,21)(H,20,23);9,11H,4-8,10H2,1-3H3,(H,17,22)(H,18,24)(H,19,21)(H,20,23);6-7,9,11H,2-5,8,10H2,1H3,(H,17,22)(H,18,20)(H,19,21);8,10H,4-7,9H2,1-3H3,(H,16,21)(H,17,23)(H,18,20)(H,19,22);9H,3-8,10H2,1-2H3,(H,16,21)(H,17,23)(H,18,20)(H,19,22);2-3,6,8H,4-5,7H2,1H3,(H,15,20)(H,16,22)(H,17,19)(H,18,21);7,9H,4-6,8H2,1-3H3,(H,15,20)(H,16,22)(H,17,19)(H,18,21);8H,3-7,9H2,1-2H3,(H,15,20)(H,16,22)(H,17,19)(H,18,21);7H,3-6,8H2,1-2H3,(H,14,19)(H,15,21)(H,16,18)(H,17,20);5H,3-4,6H2,1-2H3,(H,13,20)(H,14,19)(H,15,22)(H,16,18)(H,17,21)/b13-8+;;;;;;;;;;;;;;; |
| InChIKey | INEIGWXYXDUQPY-ZPNNEVHFSA-N |
| XLogP | 5.12 |
| TPSA | 1907.72 Ų |
| H-Bond Donors | 63 |
| H-Bond Acceptors | 72 |
| Rotatable Bonds | 138 |
| Heavy Atoms | 380 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5303.12 |
| LogP ≤ 5 | 5.12 |
| H-Bond Donors ≤ 5 | 63 |
| H-Bond Acceptors ≤ 10 | 72 |