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

C110H108N18O5 — CID 162296359

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

bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);bis(8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 162296359) has the molecular formula C110H108N18O5 and a molecular weight of 1766.22 g/mol. Its IUPAC name is bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);bis(8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);bis(8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 162296359
• Molecular Formula: C110H108N18O5
• Molecular Weight: 1766.22 g/mol
• Exact Mass: 1764.90
• IUPAC Name: bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);bis(8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(oc3ncccc32)c1N1c2ncccc2N(C)C1C.[2H]C(C)(C)N1c2ccccc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C(C)(C)N1c2ccccc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ncccc23)C1C
• InChI: InChI=1S/2C23H23N3O.2C22H22N4O.C20H18N4O/c2*1-14(2)25-16(4)26(20-10-6-5-9-19(20)25)21-15(3)11-12-17-18-8-7-13-24-23(18)27-22(17)21;2*1-13(2)25-15(4)26(21-18(25)8-6-11-23-21)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19;1-12-8-9-14-15-6-4-11-22-20(15)25-18(14)17(12)24-13(2)23(3)16-7-5-10-21-19(16)24/h2*5-14,16H,1-4H3;2*5-13,15H,1-4H3;4-11,13H,1-3H3/i2*14D;2*13D
• InChIKey: DLFYPTWBQFEJNT-HTVOCCCISA-N
• XLogP: 27.42
• TPSA: 201.22 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 9
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.22
LogP ≤ 5	27.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);bis(8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine (CID 162296359) is bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);bis(8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[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]-7-methyl-[1]benzofuro[2,3-b]pyridine);bis(8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);bis(8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3ncccc32)c1N1c2ncccc2N(C)C1C.[2H]C(C)(C)N1c2ccccc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C(C)(C)N1c2ccccc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ncccc23)C1C.

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

The InChIKey is DLFYPTWBQFEJNT-HTVOCCCISA-N. The full InChI is InChI=1S/2C23H23N3O.2C22H22N4O.C20H18N4O/c2*1-14(2)25-16(4)26(20-10-6-5-9-19(20)25)21-15(3)11-12-17-18-8-7-13-24-23(18)27-22(17)21;2*1-13(2)25-15(4)26(21-18(25)8-6-11-23-21)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19;1-12-8-9-14-15-6-4-11-22-20(15)25-18(14)17(12)24-13(2)23(3)16-7-5-10-21-19(16)24/h2*5-14,16H,1-4H3;2*5-13,15H,1-4H3;4-11,13H,1-3H3/i2*14D;2*13D;.

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

bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);bis(8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1766.22 g/mol, XLogP of 27.42, 9 rotatable bonds, 0 hydrogen bond donors, and 23 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]-7-methyl-[1]benzofuro[2,3-b]pyridine);bis(8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162296359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).