Bis(4-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
C181H220N38O5 — CID 159517389
Data last refreshed: (MolForge compound catalog, from PubChem)
About Bis(4-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
Bis(4-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 159517389) has the molecular formula C181H220N38O5 and a molecular weight of 3008.01 g/mol. Its IUPAC name is bis(4-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine.
Molecular Properties
| Compound Name | Bis(4-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine |
|---|---|
| PubChem CID | 159517389 |
| Molecular Formula | C181H220N38O5 |
| Molecular Weight | 3008.01 g/mol |
| Exact Mass | 3005.81 |
| IUPAC Name | bis(4-propan-2-yl-1H-benzimidazole);4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;7-propan-2-yl-1H-indazol-3-amine;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine |
| SMILES | CC(=O)N1CCc2c(C(C)C)cccc21.CC(C)c1[nH]nc2ccccc12.CC(C)c1cccc2[nH]c(=O)[nH]c12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c(N)n[nH]c12.CC(C)c1cccc2c(N)noc12.CC(C)c1cccc2c1CC(=O)N2.CC(C)c1cccc2c1NC(=O)C2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2n[nH]nc12.CC(C)c1ccnc2[nH]ncc12.CC(C)c1cncc2[nH]ccc12.CC(C)c1cncc2[nH]cnc12.CC(C)c1cncc2[nH]ncc12.CC(C)c1ncnc2[nH]ncc12 |
| InChI | InChI=1S/C13H17NO.2C11H13NO.2C11H13N.C10H13N3.2C10H12N2O.5C10H12N2.4C9H11N3.C8H10N4/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-7(2)8-4-3-5-10-9(8)6-11(13)12-10;1-7(2)9-5-3-4-8-6-10(13)12-11(8)9;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-6(2)7-4-3-5-8-9(7)12-13-10(8)11;1-6(2)7-4-3-5-8-9(7)12-10(13)11-8;1-6(2)7-4-3-5-8-9(7)13-12-10(8)11;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;2*1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)7-3-10-4-8-9(7)12-5-11-8;1-6(2)7-3-10-5-9-8(7)4-11-12-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-5(2)7-6-3-11-12-8(6)10-4-9-7/h4-6,9H,7-8H2,1-3H3;2*3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3-6H,1-2H3,(H3,11,12,13);3-6H,1-2H3,(H2,11,12,13);3-6H,1-2H3,(H2,11,12);3-7,12H,1-2H3;4*3-7H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,11,12);2*3-6H,1-2H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11,12) |
| InChIKey | MBJKMHWPTJZUHQ-UHFFFAOYSA-N |
| XLogP | 43.93 |
| TPSA | 629.63 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 224 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3008.01 |
| LogP ≤ 5 | 43.93 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 25 |
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