8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine

C115H113N15O5 — CID 162016735

About 8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine

8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 162016735) has the molecular formula C115H113N15O5 and a molecular weight of 1785.27 g/mol. Its IUPAC name is 8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 162016735
• Molecular Formula: C115H113N15O5
• Molecular Weight: 1785.27 g/mol
• Exact Mass: 1783.90
• IUPAC Name: 8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
• SMILES: CCN1c2ccccc2N(c2c(C)ccc3c2oc2ncccc23)[C@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2ccccc2N(C(C)C)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2ccccc2N(C)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2ccccc2N(C2CCCC2)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2ccccc2N(CC(C)C)[C@@H]1C
• InChI: InChI=1S/C25H25N3O.C24H25N3O.C23H23N3O.C22H21N3O.C21H19N3O/c1-16-13-14-19-20-10-7-15-26-25(20)29-24(19)23(16)28-17(2)27(18-8-3-4-9-18)21-11-5-6-12-22(21)28;1-15(2)14-26-17(4)27(21-10-6-5-9-20(21)26)22-16(3)11-12-18-19-8-7-13-25-24(19)28-23(18)22;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;1-4-24-15(3)25(19-10-6-5-9-18(19)24)20-14(2)11-12-16-17-8-7-13-23-22(17)26-21(16)20;1-13-10-11-15-16-7-6-12-22-21(16)25-20(15)19(13)24-14(2)23(3)17-8-4-5-9-18(17)24/h5-7,10-15,17-18H,3-4,8-9H2,1-2H3;5-13,15,17H,14H2,1-4H3;5-14,16H,1-4H3;5-13,15H,4H2,1-3H3;4-12,14H,1-3H3/t2*17-;16-;15-;14-/m00000/s1
• InChIKey: YUEZLUYAPVGJPO-BUEULORPSA-N
• XLogP: 29.62
• TPSA: 162.55 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1785.27
LogP ≤ 5	29.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (CID 162016735) is 8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is CCN1c2ccccc2N(c2c(C)ccc3c2oc2ncccc23)[C@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2ccccc2N(C(C)C)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2ccccc2N(C)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2ccccc2N(C2CCCC2)[C@@H]1C.Cc1ccc2c(oc3ncccc32)c1N1c2ccccc2N(CC(C)C)[C@@H]1C.

What is the InChIKey of 8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?

The InChIKey is YUEZLUYAPVGJPO-BUEULORPSA-N. The full InChI is InChI=1S/C25H25N3O.C24H25N3O.C23H23N3O.C22H21N3O.C21H19N3O/c1-16-13-14-19-20-10-7-15-26-25(20)29-24(19)23(16)28-17(2)27(18-8-3-4-9-18)21-11-5-6-12-22(21)28;1-15(2)14-26-17(4)27(21-10-6-5-9-20(21)26)22-16(3)11-12-18-19-8-7-13-25-24(19)28-23(18)22;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;1-4-24-15(3)25(19-10-6-5-9-18(19)24)20-14(2)11-12-16-17-8-7-13-23-22(17)26-21(16)20;1-13-10-11-15-16-7-6-12-22-21(16)25-20(15)19(13)24-14(2)23(3)17-8-4-5-9-18(17)24/h5-7,10-15,17-18H,3-4,8-9H2,1-2H3;5-13,15,17H,14H2,1-4H3;5-14,16H,1-4H3;5-13,15H,4H2,1-3H3;4-12,14H,1-3H3/t2*17-;16-;15-;14-/m00000/s1.

What are the key properties of 8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine?

8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1785.27 g/mol, XLogP of 29.62, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2S)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162016735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).