3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole

C96H69BrCl2N14O4 — CID 158844447

About 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole

3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 158844447) has the molecular formula C96H69BrCl2N14O4 and a molecular weight of 1633.51 g/mol. Its IUPAC name is 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

• Compound Name: 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
• PubChem CID: 158844447
• Molecular Formula: C96H69BrCl2N14O4
• Molecular Weight: 1633.51 g/mol
• Exact Mass: 1630.42
• IUPAC Name: 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
• SMILES: Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(Br)cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3ccccc3c3ccccc3c2[nH]1
• InChI: InChI=1S/C24H18BrN3.C24H17Cl2N3.C24H17N5O4.C24H17N3/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(19-4-2-3-5-20(19)27-14)24-28-22(15-6-10-17(25)11-7-15)23(29-24)16-8-12-18(26)13-9-16;1-14-21(19-4-2-3-5-20(19)25-14)24-26-22(15-6-10-17(11-7-15)28(30)31)23(27-24)16-8-12-18(13-9-16)29(32)33;1-14-21(19-12-6-7-13-20(19)25-14)24-26-22-17-10-4-2-8-15(17)16-9-3-5-11-18(16)23(22)27-24/h2-14,26H,1H3,(H,27,28);2-13,27H,1H3,(H,28,29);2-13,25H,1H3,(H,26,27);2-13,25H,1H3,(H,26,27)
• InChIKey: IYQJJUKACMDBHT-UHFFFAOYSA-N
• XLogP: 26.81
• TPSA: 264.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1633.51
LogP ≤ 5	26.81
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

The IUPAC name of 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (CID 158844447) is 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.

What is the SMILES notation for 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

The canonical SMILES for 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(Br)cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3ccccc3c3ccccc3c2[nH]1.

What is the InChIKey of 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

The InChIKey is IYQJJUKACMDBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3.C24H17Cl2N3.C24H17N5O4.C24H17N3/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(19-4-2-3-5-20(19)27-14)24-28-22(15-6-10-17(25)11-7-15)23(29-24)16-8-12-18(26)13-9-16;1-14-21(19-4-2-3-5-20(19)25-14)24-26-22(15-6-10-17(11-7-15)28(30)31)23(27-24)16-8-12-18(13-9-16)29(32)33;1-14-21(19-12-6-7-13-20(19)25-14)24-26-22-17-10-4-2-8-15(17)16-9-3-5-11-18(16)23(22)27-24/h2-14,26H,1H3,(H,27,28);2-13,27H,1H3,(H,28,29);2-13,25H,1H3,(H,26,27);2-13,25H,1H3,(H,26,27).

What are the key properties of 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 1633.51 g/mol, XLogP of 26.81, 12 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 158844447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).