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

C119H83Br4N15O2 — CID 159221224

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

3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 159221224) has the molecular formula C119H83Br4N15O2 and a molecular weight of 2074.69 g/mol. Its IUPAC name is 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

• Compound Name: 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
• PubChem CID: 159221224
• Molecular Formula: C119H83Br4N15O2
• Molecular Weight: 2074.69 g/mol
• Exact Mass: 2069.36
• IUPAC Name: 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
• SMILES: Brc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.COc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(OC)cc2)cc1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3ccccc3c3ccccc3c2[nH]1.c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1
• InChI: InChI=1S/C25H20BrN3O2.C24H17Br2N3.C24H17N3.C23H14BrN3.C23H15N3/c1-30-18-8-3-15(4-9-18)23-24(16-5-10-19(31-2)11-6-16)29-25(28-23)21-14-27-22-12-7-17(26)13-20(21)22;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(19-12-6-7-13-20(19)25-14)24-26-22-17-10-4-2-8-15(17)16-9-3-5-11-18(16)23(22)27-24;24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23;1-3-10-17-14(7-1)15-8-2-4-11-18(15)22-21(17)25-23(26-22)19-13-24-20-12-6-5-9-16(19)20/h3-14,27H,1-2H3,(H,28,29);2-13,27H,1H3,(H,28,29);2-13,25H,1H3,(H,26,27);1-12,25H,(H,26,27);1-13,24H,(H,25,26)
• InChIKey: KRSASMMETNNOHV-UHFFFAOYSA-N
• XLogP: 33.52
• TPSA: 240.81 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2074.69
LogP ≤ 5	33.52
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', '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-bromophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?

The IUPAC name of 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (CID 159221224) is 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.

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

The canonical SMILES for 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is Brc1ccc2[nH]cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2c1.COc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(OC)cc2)cc1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3ccccc3c3ccccc3c2[nH]1.c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1.

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

The InChIKey is KRSASMMETNNOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3O2.C24H17Br2N3.C24H17N3.C23H14BrN3.C23H15N3/c1-30-18-8-3-15(4-9-18)23-24(16-5-10-19(31-2)11-6-16)29-25(28-23)21-14-27-22-12-7-17(26)13-20(21)22;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(19-12-6-7-13-20(19)25-14)24-26-22-17-10-4-2-8-15(17)16-9-3-5-11-18(16)23(22)27-24;24-13-9-10-20-18(11-13)19(12-25-20)23-26-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)22(21)27-23;1-3-10-17-14(7-1)15-8-2-4-11-18(15)22-21(17)25-23(26-22)19-13-24-20-12-6-5-9-16(19)20/h3-14,27H,1-2H3,(H,28,29);2-13,27H,1H3,(H,28,29);2-13,25H,1H3,(H,26,27);1-12,25H,(H,26,27);1-13,24H,(H,25,26).

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

3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 2074.69 g/mol, XLogP of 33.52, 11 rotatable bonds, 10 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 159221224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).