bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine

C114H115N17O5 — CID 162301832

About bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine

bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 162301832) has the molecular formula C114H115N17O5 and a molecular weight of 1812.34 g/mol. Its IUPAC name is bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 162301832
• Molecular Formula: C114H115N17O5
• Molecular Weight: 1812.34 g/mol
• Exact Mass: 1810.98
• IUPAC Name: bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
• SMILES: [2H]C(C)(C)N1c2ccccc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.[2H]C(C)(C)N1c2ccccc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.[2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.[2H]C([2H])([2H])N1c2ccccc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.[2H]C([2H])([2H])N1c2cccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C
• InChI: InChI=1S/2C24H25N3O.C23H24N4O.C22H21N3O.C21H20N4O/c2*1-14(2)26-17(5)27(21-9-7-6-8-20(21)26)22-15(3)10-12-18-19-13-11-16(4)25-24(19)28-23(18)22;1-13(2)26-16(5)27(22-19(26)7-6-12-24-22)20-14(3)8-10-17-18-11-9-15(4)25-23(18)28-21(17)20;1-13-9-11-16-17-12-10-14(2)23-22(17)26-21(16)20(13)25-15(3)24(4)18-7-5-6-8-19(18)25;1-12-7-9-15-16-10-8-13(2)23-21(16)26-19(15)18(12)25-14(3)24(4)17-6-5-11-22-20(17)25/h2*6-14,17H,1-5H3;6-13,16H,1-5H3;5-12,15H,1-4H3;5-11,14H,1-4H3/i2*14D;13D;2*4D3
• InChIKey: LGRONFWMEWABLK-HPLNVFJUSA-N
• XLogP: 28.78
• TPSA: 188.33 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1812.34
LogP ≤ 5	28.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine (CID 162301832) is bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine is [2H]C(C)(C)N1c2ccccc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.[2H]C(C)(C)N1c2ccccc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.[2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.[2H]C([2H])([2H])N1c2ccccc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.[2H]C([2H])([2H])N1c2cccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.

What is the InChIKey of bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine?

The InChIKey is LGRONFWMEWABLK-HPLNVFJUSA-N. The full InChI is InChI=1S/2C24H25N3O.C23H24N4O.C22H21N3O.C21H20N4O/c2*1-14(2)26-17(5)27(21-9-7-6-8-20(21)26)22-15(3)10-12-18-19-13-11-16(4)25-24(19)28-23(18)22;1-13(2)26-16(5)27(22-19(26)7-6-12-24-22)20-14(3)8-10-17-18-11-9-15(4)25-23(18)28-21(17)20;1-13-9-11-16-17-12-10-14(2)23-22(17)26-21(16)20(13)25-15(3)24(4)18-7-5-6-8-19(18)25;1-12-7-9-15-16-10-8-13(2)23-21(16)26-19(15)18(12)25-14(3)24(4)17-6-5-11-22-20(17)25/h2*6-14,17H,1-5H3;6-13,16H,1-5H3;5-12,15H,1-4H3;5-11,14H,1-4H3/i2*14D;13D;2*4D3.

What are the key properties of bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine?

bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1812.34 g/mol, XLogP of 28.78, 10 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162301832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).