C160H259N27O6 — CID 167563619
1-ethyl-4-(2-methylpropyl)imidazole;1-ethyl-4-propan-2-ylimidazole;1-ethyl-3-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-2-propan-2-ylpyrrole;1-methyl-4-(2-methylpropyl)imidazole;bis(2-methyl-5-propan-2-ylfuran);3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;5-(2-methylpropyl)-1H-imidazole;2-propan-2-yl-1-benzofuran;3-propan-2-ylcyclobutan-1-one;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole (PubChem CID 167563619) has the molecular formula C160H259N27O6 and a molecular weight of 2657.01 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylpropyl)imidazole;1-ethyl-4-propan-2-ylimidazole;1-ethyl-3-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-2-propan-2-ylpyrrole;1-methyl-4-(2-methylpropyl)imidazole;bis(2-methyl-5-propan-2-ylfuran);3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;5-(2-methylpropyl)-1H-imidazole;2-propan-2-yl-1-benzofuran;3-propan-2-ylcyclobutan-1-one;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole.
| Compound Name | 1-ethyl-4-(2-methylpropyl)imidazole;1-ethyl-4-propan-2-ylimidazole;1-ethyl-3-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-2-propan-2-ylpyrrole;1-methyl-4-(2-methylpropyl)imidazole;bis(2-methyl-5-propan-2-ylfuran);3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;5-(2-methylpropyl)-1H-imidazole;2-propan-2-yl-1-benzofuran;3-propan-2-ylcyclobutan-1-one;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole |
|---|---|
| PubChem CID | 167563619 |
| Molecular Formula | C160H259N27O6 |
| Molecular Weight | 2657.01 g/mol |
| Exact Mass | 2655.08 |
| IUPAC Name | 1-ethyl-4-(2-methylpropyl)imidazole;1-ethyl-4-propan-2-ylimidazole;1-ethyl-3-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-2-propan-2-ylpyrrole;1-methyl-4-(2-methylpropyl)imidazole;bis(2-methyl-5-propan-2-ylfuran);3-methyl-2-propan-2-ylfuran;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;5-(2-methylpropyl)-1H-imidazole;2-propan-2-yl-1-benzofuran;3-propan-2-ylcyclobutan-1-one;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole |
| SMILES | CC(C)C1CC(=O)C1.CC(C)Cc1cn(C)cn1.CC(C)Cc1cnc[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cn(C)cn1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnn(C)c1.CCn1cc(C(C)C)cn1.CCn1ccc(C(C)C)n1.CCn1cccc1C(C)C.CCn1cnc(C(C)C)c1.CCn1cnc(CC(C)C)c1.Cc1ccc(C(C)C)o1.Cc1ccc(C(C)C)o1.Cc1ccoc1C(C)C |
| InChI | InChI=1S/C11H12O.C9H16N2.C9H15N.4C8H14N2.C8H13N.3C8H12O.4C7H12N2.C7H11N.C7H12O.C7H10O.3C6H10N2/c1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-4-11-6-9(10-7-11)5-8(2)3;1-4-10-7-5-6-9(10)8(2)3;1-7(2)4-8-5-10(3)6-9-8;1-4-10-5-8(7(2)3)9-6-10;1-4-10-6-8(5-9-10)7(2)3;1-4-10-6-5-8(9-10)7(2)3;1-7(2)8-5-4-6-9(8)3;1-6(2)8-7(3)4-5-9-8;2*1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-8-9(3)5-7;1-6(2)3-7-4-8-5-9-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7(8)4-6;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h3-8H,1-2H3;6-8H,4-5H2,1-3H3;5-8H,4H2,1-3H3;4*5-7H,4H2,1-3H3;4-7H,1-3H3;5*4-6H,1-3H3;4-6H,3H2,1-2H3,(H,8,9);4-6H,1-3H3;3-6,8H,1-2H3;5-6H,3-4H2,1-2H3;3-6H,1-2H3;3*3-5H,1-2H3,(H,7,8) |
| InChIKey | DZIVZJAAEFZPAS-UHFFFAOYSA-N |
| XLogP | 43.27 |
| TPSA | 365.70 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 193 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2657.01 |
| LogP ≤ 5 | 43.27 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 28 |