C204H301ClN30O2S — CID 159578204
2-chloro-1-methyl-5-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;propan-2-ylcyclobutane;1-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;3-propan-2-ylthiophene (PubChem CID 159578204) has the molecular formula C204H301ClN30O2S and a molecular weight of 3273.38 g/mol. Its IUPAC name is 2-chloro-1-methyl-5-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;propan-2-ylcyclobutane;1-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;3-propan-2-ylthiophene.
| Compound Name | 2-chloro-1-methyl-5-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;propan-2-ylcyclobutane;1-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;3-propan-2-ylthiophene |
|---|---|
| PubChem CID | 159578204 |
| Molecular Formula | C204H301ClN30O2S |
| Molecular Weight | 3273.38 g/mol |
| Exact Mass | 3270.38 |
| IUPAC Name | 2-chloro-1-methyl-5-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;propan-2-ylcyclobutane;1-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;3-propan-2-ylthiophene |
| SMILES | CC(C)C1=CC=CC1.CC(C)C1=CN=CC1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc[nH]c1.CC(C)c1ccc(Cl)n1C.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1ccn(C)c1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccsc1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnccn1.CC(C)c1cncn1C.CC(C)c1ncccn1.CC(C)c1nn(C)c2ccccc12.Cc1ccc(C(C)C)o1 |
| InChI | InChI=1S/C12H15N.C11H14N2.C11H13N.C10H12N2.C8H12ClN.2C8H13N.3C8H11N.C8H12O.C8H12.2C7H12N2.5C7H10N2.2C7H11N.C7H10O.C7H10S.C7H14.C6H10N2.C6H12/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)7-4-5-8(9)10(7)3;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-7;1-5(2)6-3-4-7-8-6;1-5(2)6-3-4-6/h4-9H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12);4-6H,1-3H3;2*4-7H,1-3H3;3*3-7H,1-2H3;4-6H,1-3H3;3-5,7H,6H2,1-2H3;2*4-6H,1-3H3;5*3-6H,1-2H3;4-6H,3H2,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8);5-6H,3-4H2,1-2H3 |
| InChIKey | MIRDMXLRICTNGF-UHFFFAOYSA-N |
| XLogP | 57.46 |
| TPSA | 368.33 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 238 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3273.38 |
| LogP ≤ 5 | 57.46 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 29 |