5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole

C112H118N16O4 — CID 158223500

About 5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole

5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole (PubChem CID 158223500) has the molecular formula C112H118N16O4 and a molecular weight of 1752.28 g/mol. Its IUPAC name is 5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole.

Molecular Properties

• Compound Name: 5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole
• PubChem CID: 158223500
• Molecular Formula: C112H118N16O4
• Molecular Weight: 1752.28 g/mol
• Exact Mass: 1750.95
• IUPAC Name: 5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole
• SMILES: Cc1ccc2c(n1)oc1ccc(C)c(C(C)(C)N3C=CN(c4cc(C)nn4C)[C@H]3C)c12.Cc1ccc2c(n1)oc1ccc(C)c(C(C)(C)N3C=CN(c4cnc(C)n4C)[C@H]3C)c12.Cc1ccc2oc3ccccc3c2c1C(C)(C)N1c2ccccc2N(c2cc3ccccc3n2C)[C@H]1C.Cc1ccc2oc3ccccc3c2c1C(C)(C)N1c2ccccc2N(c2cccn2C)[C@H]1C
• InChI: InChI=1S/C33H31N3O.C29H29N3O.2C25H29N5O/c1-21-18-19-29-31(24-13-7-11-17-28(24)37-29)32(21)33(3,4)36-22(2)35(26-15-9-10-16-27(26)36)30-20-23-12-6-8-14-25(23)34(30)5;1-19-16-17-25-27(21-11-6-9-14-24(21)33-25)28(19)29(3,4)32-20(2)31(26-15-10-18-30(26)5)22-12-7-8-13-23(22)32;1-15-8-11-20-22(19-10-9-16(2)27-24(19)31-20)23(15)25(5,6)30-13-12-29(18(30)4)21-14-26-17(3)28(21)7;1-15-8-11-20-22(19-10-9-16(2)26-24(19)31-20)23(15)25(5,6)30-13-12-29(18(30)4)21-14-17(3)27-28(21)7/h6-20,22H,1-5H3;6-18,20H,1-5H3;2*8-14,18H,1-7H3/t22-;20-;2*18-/m1111/s1
• InChIKey: GDNIMAZVWVDDOP-BKGGNERISA-N
• XLogP: 27.13
• TPSA: 149.76 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1752.28
LogP ≤ 5	27.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole?

The IUPAC name of 5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole (CID 158223500) is 5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole.

What is the SMILES notation for 5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole?

The canonical SMILES for 5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole is Cc1ccc2c(n1)oc1ccc(C)c(C(C)(C)N3C=CN(c4cc(C)nn4C)[C@H]3C)c12.Cc1ccc2c(n1)oc1ccc(C)c(C(C)(C)N3C=CN(c4cnc(C)n4C)[C@H]3C)c12.Cc1ccc2oc3ccccc3c2c1C(C)(C)N1c2ccccc2N(c2cc3ccccc3n2C)[C@H]1C.Cc1ccc2oc3ccccc3c2c1C(C)(C)N1c2ccccc2N(c2cccn2C)[C@H]1C.

What is the InChIKey of 5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole?

The InChIKey is GDNIMAZVWVDDOP-BKGGNERISA-N. The full InChI is InChI=1S/C33H31N3O.C29H29N3O.2C25H29N5O/c1-21-18-19-29-31(24-13-7-11-17-28(24)37-29)32(21)33(3,4)36-22(2)35(26-15-9-10-16-27(26)36)30-20-23-12-6-8-14-25(23)34(30)5;1-19-16-17-25-27(21-11-6-9-14-24(21)33-25)28(19)29(3,4)32-20(2)31(26-15-10-18-30(26)5)22-12-7-8-13-23(22)32;1-15-8-11-20-22(19-10-9-16(2)27-24(19)31-20)23(15)25(5,6)30-13-12-29(18(30)4)21-14-26-17(3)28(21)7;1-15-8-11-20-22(19-10-9-16(2)26-24(19)31-20)23(15)25(5,6)30-13-12-29(18(30)4)21-14-17(3)27-28(21)7/h6-20,22H,1-5H3;6-18,20H,1-5H3;2*8-14,18H,1-7H3/t22-;20-;2*18-/m1111/s1.

What are the key properties of 5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole?

5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole has a molecular weight of 1752.28 g/mol, XLogP of 27.13, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2S)-3-(2,3-dimethylimidazol-4-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;5-[2-[(2S)-3-(2,5-dimethylpyrazol-3-yl)-2-methyl-2H-imidazol-1-yl]propan-2-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylindol-2-yl)-2H-benzimidazole;(2S)-2-methyl-1-[2-(2-methyldibenzofuran-1-yl)propan-2-yl]-3-(1-methylpyrrol-2-yl)-2H-benzimidazole is sourced from PubChem (CID 158223500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).