3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole

C94H64Br2Cl2N16O8 — CID 159562091

About 3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole

3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole (PubChem CID 159562091) has the molecular formula C94H64Br2Cl2N16O8 and a molecular weight of 1776.36 g/mol. Its IUPAC name is 3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole.

Molecular Properties

• Compound Name: 3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole
• PubChem CID: 159562091
• Molecular Formula: C94H64Br2Cl2N16O8
• Molecular Weight: 1776.36 g/mol
• Exact Mass: 1772.28
• IUPAC Name: 3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole
• SMILES: Cc1[nH]c2ccccc2c1-c1nc(-c2cccc([N+](=O)[O-])c2)c(-c2cccc([N+](=O)[O-])c2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]1.Clc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1.O=[N+]([O-])c1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc([N+](=O)[O-])c2)c1
• InChI: InChI=1S/C24H18ClN3.C24H17N5O4.C23H15BrClN3.C23H14BrN5O4/c1-15-21(19-9-5-6-10-20(19)26-15)24-27-22(16-7-3-2-4-8-16)23(28-24)17-11-13-18(25)14-12-17;1-14-21(19-10-2-3-11-20(19)25-14)24-26-22(15-6-4-8-17(12-15)28(30)31)23(27-24)16-7-5-9-18(13-16)29(32)33;24-16-8-11-20-18(12-16)19(13-26-20)23-27-21(14-4-2-1-3-5-14)22(28-23)15-6-9-17(25)10-7-15;24-15-7-8-20-18(11-15)19(12-25-20)23-26-21(13-3-1-5-16(9-13)28(30)31)22(27-23)14-4-2-6-17(10-14)29(32)33/h2-14,26H,1H3,(H,27,28);2-13,25H,1H3,(H,26,27);1-13,26H,(H,27,28);1-12,25H,(H,26,27)
• InChIKey: MGTCHIALIZPUCO-UHFFFAOYSA-N
• XLogP: 26.65
• TPSA: 350.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1776.36
LogP ≤ 5	26.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', '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-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole?

The IUPAC name of 3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole (CID 159562091) is 3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole.

What is the SMILES notation for 3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole?

The canonical SMILES for 3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1-c1nc(-c2cccc([N+](=O)[O-])c2)c(-c2cccc([N+](=O)[O-])c2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]1.Clc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1.O=[N+]([O-])c1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc([N+](=O)[O-])c2)c1.

What is the InChIKey of 3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole?

The InChIKey is MGTCHIALIZPUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3.C24H17N5O4.C23H15BrClN3.C23H14BrN5O4/c1-15-21(19-9-5-6-10-20(19)26-15)24-27-22(16-7-3-2-4-8-16)23(28-24)17-11-13-18(25)14-12-17;1-14-21(19-10-2-3-11-20(19)25-14)24-26-22(15-6-4-8-17(12-15)28(30)31)23(27-24)16-7-5-9-18(13-16)29(32)33;24-16-8-11-20-18(12-16)19(13-26-20)23-27-21(14-4-2-1-3-5-14)22(28-23)15-6-9-17(25)10-7-15;24-15-7-8-20-18(11-15)19(12-25-20)23-26-21(13-3-1-5-16(9-13)28(30)31)22(27-23)14-4-2-6-17(10-14)29(32)33/h2-14,26H,1H3,(H,27,28);2-13,25H,1H3,(H,26,27);1-13,26H,(H,27,28);1-12,25H,(H,26,27).

What are the key properties of 3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole?

3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole has a molecular weight of 1776.36 g/mol, XLogP of 26.65, 16 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(3-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole is sourced from PubChem (CID 159562091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).