2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole
C164H235N9O5 — CID 159981026
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole
SMILESCC(C)(C)c1ccc2c(C(C)(C)C)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)CC(=O)N2C(C)(C)C.CC(C)(C)c1ccc2cc(C(C)(C)C)[nH]c2c1.CC(C)c1ccc2c(c1)CC(C(C)(C)C)O2.CC(C)c1ccc2c(c1)NC(C(C)(C)C)C2.CC(C)c1ccc2c(c1)NCC2C(C)C.CC(C)c1ccc2c(c1)OC(C(C)(C)C)C2.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2cc(C(C)(C)C)oc2c1.CC(C)c1ccc2nc(C(C)(C)C)[nH]c2c1.CC(C)c1ccc2oc(C(C)(C)C)cc2c1
InChIInChI=1S/C16H23NO.2C16H23N.C15H23N.C15H22O.C15H20O.C15H22O.C15H20O.C14H20N2.C14H21N.C13H18N2/c1-15(2,3)12-7-8-13-11(9-12)10-14(18)17(13)16(4,5)6;1-15(2,3)11-7-8-12-13(16(4,5)6)10-17-14(12)9-11;1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;1-10(2)11-6-7-12-9-14(15(3,4)5)16-13(12)8-11;2*1-10(2)11-6-7-13-12(8-11)9-14(16-13)15(3,4)5;2*1-10(2)11-6-7-12-9-14(15(3,4)5)16-13(12)8-11;1-9(2)10-6-7-11-12(8-10)16-13(15-11)14(3,4)5;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4/h7-9H,10H2,1-6H3;2*7-10,17H,1-6H3;6-8,10,14,16H,9H2,1-5H3;6-8,10,14H,9H2,1-5H3;6-10H,1-5H3;6-8,10,14H,9H2,1-5H3;6-10H,1-5H3;6-9H,1-5H3,(H,15,16);5-7,9-10,13,15H,8H2,1-4H3;5-10H,1-4H3
InChIKeyOFTRNUXDTUMFLI-UHFFFAOYSA-N
MW2412.74 g/mol
LogP47.12
Rot. Bonds10
About 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole
2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole (PubChem CID 159981026) has the molecular formula C164H235N9O5 and a molecular weight of 2412.74 g/mol. Its IUPAC name is 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole.
Molecular Properties
| Compound Name | 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole |
|---|---|
| PubChem CID | 159981026 |
| Molecular Formula | C164H235N9O5 |
| Molecular Weight | 2412.74 g/mol |
| Exact Mass | 2410.84 |
| IUPAC Name | 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole |
| SMILES | CC(C)(C)c1ccc2c(C(C)(C)C)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)CC(=O)N2C(C)(C)C.CC(C)(C)c1ccc2cc(C(C)(C)C)[nH]c2c1.CC(C)c1ccc2c(c1)CC(C(C)(C)C)O2.CC(C)c1ccc2c(c1)NC(C(C)(C)C)C2.CC(C)c1ccc2c(c1)NCC2C(C)C.CC(C)c1ccc2c(c1)OC(C(C)(C)C)C2.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2cc(C(C)(C)C)oc2c1.CC(C)c1ccc2nc(C(C)(C)C)[nH]c2c1.CC(C)c1ccc2oc(C(C)(C)C)cc2c1 |
| InChI | InChI=1S/C16H23NO.2C16H23N.C15H23N.C15H22O.C15H20O.C15H22O.C15H20O.C14H20N2.C14H21N.C13H18N2/c1-15(2,3)12-7-8-13-11(9-12)10-14(18)17(13)16(4,5)6;1-15(2,3)11-7-8-12-13(16(4,5)6)10-17-14(12)9-11;1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;1-10(2)11-6-7-12-9-14(15(3,4)5)16-13(12)8-11;2*1-10(2)11-6-7-13-12(8-11)9-14(16-13)15(3,4)5;2*1-10(2)11-6-7-12-9-14(15(3,4)5)16-13(12)8-11;1-9(2)10-6-7-11-12(8-10)16-13(15-11)14(3,4)5;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4/h7-9H,10H2,1-6H3;2*7-10,17H,1-6H3;6-8,10,14,16H,9H2,1-5H3;6-8,10,14H,9H2,1-5H3;6-10H,1-5H3;6-8,10,14H,9H2,1-5H3;6-10H,1-5H3;6-9H,1-5H3,(H,15,16);5-7,9-10,13,15H,8H2,1-4H3;5-10H,1-4H3 |
| InChIKey | OFTRNUXDTUMFLI-UHFFFAOYSA-N |
| XLogP | 47.12 |
| TPSA | 167.19 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 178 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2412.74 |
| LogP ≤ 5 | 47.12 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 10 |
Frequently Asked Questions
What is the IUPAC name of 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole (CID 159981026) is 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole is CC(C)(C)c1ccc2c(C(C)(C)C)c[nH]c2c1.CC(C)(C)c1ccc2c(c1)CC(=O)N2C(C)(C)C.CC(C)(C)c1ccc2cc(C(C)(C)C)[nH]c2c1.CC(C)c1ccc2c(c1)CC(C(C)(C)C)O2.CC(C)c1ccc2c(c1)NC(C(C)(C)C)C2.CC(C)c1ccc2c(c1)NCC2C(C)C.CC(C)c1ccc2c(c1)OC(C(C)(C)C)C2.CC(C)c1ccc2c(c1)ncn2C(C)C.CC(C)c1ccc2cc(C(C)(C)C)oc2c1.CC(C)c1ccc2nc(C(C)(C)C)[nH]c2c1.CC(C)c1ccc2oc(C(C)(C)C)cc2c1.
What is the InChIKey of 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole?
The InChIKey is OFTRNUXDTUMFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.2C16H23N.C15H23N.C15H22O.C15H20O.C15H22O.C15H20O.C14H20N2.C14H21N.C13H18N2/c1-15(2,3)12-7-8-13-11(9-12)10-14(18)17(13)16(4,5)6;1-15(2,3)11-7-8-12-13(16(4,5)6)10-17-14(12)9-11;1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;1-10(2)11-6-7-12-9-14(15(3,4)5)16-13(12)8-11;2*1-10(2)11-6-7-13-12(8-11)9-14(16-13)15(3,4)5;2*1-10(2)11-6-7-12-9-14(15(3,4)5)16-13(12)8-11;1-9(2)10-6-7-11-12(8-10)16-13(15-11)14(3,4)5;1-9(2)11-5-6-12-13(10(3)4)8-15-14(12)7-11;1-9(2)11-5-6-13-12(7-11)14-8-15(13)10(3)4/h7-9H,10H2,1-6H3;2*7-10,17H,1-6H3;6-8,10,14,16H,9H2,1-5H3;6-8,10,14H,9H2,1-5H3;6-10H,1-5H3;6-8,10,14H,9H2,1-5H3;6-10H,1-5H3;6-9H,1-5H3,(H,15,16);5-7,9-10,13,15H,8H2,1-4H3;5-10H,1-4H3.
What are the key properties of 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole?
2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 2412.74 g/mol, XLogP of 47.12, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-tert-butyl-5-propan-2-yl-1-benzofuran;2-tert-butyl-6-propan-2-yl-1-benzofuran;2-tert-butyl-5-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1-benzofuran;2-tert-butyl-6-propan-2-yl-2,3-dihydro-1H-indole;2,6-ditert-butyl-1H-indole;3,6-ditert-butyl-1H-indole;1,5-ditert-butyl-3H-indol-2-one;1,5-di(propan-2-yl)benzimidazole;3,6-di(propan-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 159981026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159981026 — identifiers, structure, computed properties (public domain)
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