1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
C164H202N28OS — CID 159870155
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
SMILESCC(C)c1cc2c(cn1)CCC2.CC(C)c1cc2c(cn1)CCCC2.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1ccc2c(n1)CCCC2.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccccn12.CC(C)c1nc2ccccc2[nH]1.CC(C)c1ncc2ccccn12.CC(C)c1nccc2occc12.CC(C)c1nccc2scnc12.CC(C)c1nccn2cccc12.CC(C)c1nccn2ccnc12.CC(C)n1ccc2ccccc21.CC(C)n1cnc2ccccc21
InChIInChI=1S/2C12H17N.C11H15N.2C11H13N.7C10H12N2.C10H11NO.2C9H11N3.C9H10N2S/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-6-9-4-3-5-10(9)7-12-11;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-8(2)10-9-4-3-6-12(9)7-5-11-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)10-11-7-9-5-3-4-6-12(9)10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-4-6-12-9(8)3-5-11-10;1-7(2)8-9-11-4-6-12(9)5-3-10-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-6(2)8-9-7(3-4-10-8)12-5-11-9/h2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3-9H,1-2H3;3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12);5*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);3-6H,1-2H3
InChIKeyNSFXVXJBJFOROK-UHFFFAOYSA-N
MW2613.68 g/mol
LogP42.90
Rot. Bonds16
About 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 159870155) has the molecular formula C164H202N28OS and a molecular weight of 2613.68 g/mol. Its IUPAC name is 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine.
Molecular Properties
| Compound Name | 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine |
|---|---|
| PubChem CID | 159870155 |
| Molecular Formula | C164H202N28OS |
| Molecular Weight | 2613.68 g/mol |
| Exact Mass | 2611.63 |
| IUPAC Name | 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine |
| SMILES | CC(C)c1cc2c(cn1)CCC2.CC(C)c1cc2c(cn1)CCCC2.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1ccc2c(n1)CCCC2.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccccn12.CC(C)c1nc2ccccc2[nH]1.CC(C)c1ncc2ccccn12.CC(C)c1nccc2occc12.CC(C)c1nccc2scnc12.CC(C)c1nccn2cccc12.CC(C)c1nccn2ccnc12.CC(C)n1ccc2ccccc21.CC(C)n1cnc2ccccc21 |
| InChI | InChI=1S/2C12H17N.C11H15N.2C11H13N.7C10H12N2.C10H11NO.2C9H11N3.C9H10N2S/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-6-9-4-3-5-10(9)7-12-11;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-8(2)10-9-4-3-6-12(9)7-5-11-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)10-11-7-9-5-3-4-6-12(9)10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-4-6-12-9(8)3-5-11-10;1-7(2)8-9-11-4-6-12(9)5-3-10-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-6(2)8-9-7(3-4-10-8)12-5-11-9/h2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3-9H,1-2H3;3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12);5*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);3-6H,1-2H3 |
| InChIKey | NSFXVXJBJFOROK-UHFFFAOYSA-N |
| XLogP | 42.90 |
| TPSA | 327.34 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 194 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2613.68 |
| LogP ≤ 5 | 42.90 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 26 |
Frequently Asked Questions
What is the IUPAC name of 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine (CID 159870155) is 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine is CC(C)c1cc2c(cn1)CCC2.CC(C)c1cc2c(cn1)CCCC2.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc2[nH]cnc2n1.CC(C)c1ccc2c(n1)CCCC2.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1cn2ccccc2n1.CC(C)c1cnc2ccccn12.CC(C)c1nc2ccccc2[nH]1.CC(C)c1ncc2ccccn12.CC(C)c1nccc2occc12.CC(C)c1nccc2scnc12.CC(C)c1nccn2cccc12.CC(C)c1nccn2ccnc12.CC(C)n1ccc2ccccc21.CC(C)n1cnc2ccccc21.
What is the InChIKey of 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is NSFXVXJBJFOROK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17N.C11H15N.2C11H13N.7C10H12N2.C10H11NO.2C9H11N3.C9H10N2S/c1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-6-9-4-3-5-10(9)7-12-11;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-8(2)10-9-4-3-6-12(9)7-5-11-10;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)10-11-7-9-5-3-4-6-12(9)10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-7(2)10-8-4-6-12-9(8)3-5-11-10;1-7(2)8-9-11-4-6-12(9)5-3-10-8;1-6(2)7-3-4-8-9(12-7)11-5-10-8;1-6(2)8-9-7(3-4-10-8)12-5-11-9/h2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3-9H,1-2H3;3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12);5*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);3-6H,1-2H3.
What are the key properties of 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine?
1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 2613.68 g/mol, XLogP of 42.90, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylbenzimidazole;2-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine;4-propan-2-ylfuro[3,2-c]pyridine;8-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylindole;2-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[1,2-a]pyrazine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroisoquinoline;2-propan-2-yl-5,6,7,8-tetrahydroquinoline;4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 159870155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159870155 — identifiers, structure, computed properties (public domain)
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