3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole

C98H75BrF2N14O5 — CID 157432184

About 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole

3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole (PubChem CID 157432184) has the molecular formula C98H75BrF2N14O5 and a molecular weight of 1646.67 g/mol. Its IUPAC name is 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole.

Molecular Properties

• Compound Name: 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole
• PubChem CID: 157432184
• Molecular Formula: C98H75BrF2N14O5
• Molecular Weight: 1646.67 g/mol
• Exact Mass: 1644.52
• IUPAC Name: 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole
• SMILES: CC(=O)c1ccc2c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c[nH]c2c1.COc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(OC)c2)c1.Cc1[nH]c2ccc(N)cc2c1-c1nc(-c2ccccc2)c(-c2ccc(F)cc2)[nH]1.Cc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1nc(-c2ccccc2)c(-c2ccc(F)cc2)[nH]1
• InChI: InChI=1S/C25H20BrN3O2.C25H19N3O.C24H17FN4O2.C24H19FN4/c1-30-18-7-3-5-15(11-18)23-24(16-6-4-8-19(12-16)31-2)29-25(28-23)21-14-27-22-10-9-17(26)13-20(21)22;1-16(29)19-12-13-20-21(15-26-22(20)14-19)25-27-23(17-8-4-2-5-9-17)24(28-25)18-10-6-3-7-11-18;1-14-21(19-13-18(29(30)31)11-12-20(19)26-14)24-27-22(15-5-3-2-4-6-15)23(28-24)16-7-9-17(25)10-8-16;1-14-21(19-13-18(26)11-12-20(19)27-14)24-28-22(15-5-3-2-4-6-15)23(29-24)16-7-9-17(25)10-8-16/h3-14,27H,1-2H3,(H,28,29);2-15,26H,1H3,(H,27,28);2-13,26H,1H3,(H,27,28);2-13,27H,26H2,1H3,(H,28,29)
• InChIKey: BQRDCVJVPHHDIW-UHFFFAOYSA-N
• XLogP: 24.94
• TPSA: 282.57 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1646.67
LogP ≤ 5	24.94
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole?

The IUPAC name of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole (CID 157432184) is 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole.

What is the SMILES notation for 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole?

The canonical SMILES for 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole is CC(=O)c1ccc2c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c[nH]c2c1.COc1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(OC)c2)c1.Cc1[nH]c2ccc(N)cc2c1-c1nc(-c2ccccc2)c(-c2ccc(F)cc2)[nH]1.Cc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1nc(-c2ccccc2)c(-c2ccc(F)cc2)[nH]1.

What is the InChIKey of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole?

The InChIKey is BQRDCVJVPHHDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3O2.C25H19N3O.C24H17FN4O2.C24H19FN4/c1-30-18-7-3-5-15(11-18)23-24(16-6-4-8-19(12-16)31-2)29-25(28-23)21-14-27-22-10-9-17(26)13-20(21)22;1-16(29)19-12-13-20-21(15-26-22(20)14-19)25-27-23(17-8-4-2-5-9-17)24(28-25)18-10-6-3-7-11-18;1-14-21(19-13-18(29(30)31)11-12-20(19)26-14)24-27-22(15-5-3-2-4-6-15)23(28-24)16-7-9-17(25)10-8-16;1-14-21(19-13-18(26)11-12-20(19)27-14)24-28-22(15-5-3-2-4-6-15)23(29-24)16-7-9-17(25)10-8-16/h3-14,27H,1-2H3,(H,28,29);2-15,26H,1H3,(H,27,28);2-13,26H,1H3,(H,27,28);2-13,27H,26H2,1H3,(H,28,29).

What are the key properties of 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole?

3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole has a molecular weight of 1646.67 g/mol, XLogP of 24.94, 16 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;1-[3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indol-6-yl]ethanone;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indol-5-amine;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole is sourced from PubChem (CID 157432184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).