3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole

C121H88BrI2N13O4 — CID 158275478

About 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole

3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole (PubChem CID 158275478) has the molecular formula C121H88BrI2N13O4 and a molecular weight of 2121.83 g/mol. Its IUPAC name is 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole.

Molecular Properties

• Compound Name: 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole
• PubChem CID: 158275478
• Molecular Formula: C121H88BrI2N13O4
• Molecular Weight: 2121.83 g/mol
• Exact Mass: 2119.44
• IUPAC Name: 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole
• SMILES: COc1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(OC)cc2)cc1.Ic1cccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2cccc(I)c2)c1.Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1.c1ccc(-c2[nH]c(-c3c[nH]c4ccccc34)nc2-c2ccc3ccccc3c2)cc1.c1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2cccc3ccccc23)cc1
• InChI: InChI=1S/2C27H19N3.C23H15I2N3.C23H20N2O3.C21H15BrN2O/c1-2-10-19(11-3-1)25-26(22-15-8-12-18-9-4-5-13-20(18)22)30-27(29-25)23-17-28-24-16-7-6-14-21(23)24;1-2-9-19(10-3-1)25-26(21-15-14-18-8-4-5-11-20(18)16-21)30-27(29-25)23-17-28-24-13-7-6-12-22(23)24;24-16-7-3-5-14(11-16)21-22(15-6-4-8-17(25)12-15)28-23(27-21)19-13-26-20-10-2-1-9-18(19)20;1-27-19-11-5-15(6-12-19)21-22(16-7-13-20(28-2)14-8-16)25-23(24-21)17-3-9-18(26)10-4-17;22-17-10-6-15(7-11-17)20-19(14-4-2-1-3-5-14)23-21(24-20)16-8-12-18(25)13-9-16/h2*1-17,28H,(H,29,30);1-13,26H,(H,27,28);3-14,26H,1-2H3,(H,24,25);1-13,25H,(H,23,24)
• InChIKey: GJOAMRLIKIUKGK-UHFFFAOYSA-N
• XLogP: 32.20
• TPSA: 249.69 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2121.83
LogP ≤ 5	32.20
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole?

The IUPAC name of 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole (CID 158275478) is 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole.

What is the SMILES notation for 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole?

The canonical SMILES for 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole is COc1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(OC)cc2)cc1.Ic1cccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2cccc(I)c2)c1.Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1.c1ccc(-c2[nH]c(-c3c[nH]c4ccccc34)nc2-c2ccc3ccccc3c2)cc1.c1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2cccc3ccccc23)cc1.

What is the InChIKey of 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole?

The InChIKey is GJOAMRLIKIUKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H19N3.C23H15I2N3.C23H20N2O3.C21H15BrN2O/c1-2-10-19(11-3-1)25-26(22-15-8-12-18-9-4-5-13-20(18)22)30-27(29-25)23-17-28-24-16-7-6-14-21(23)24;1-2-9-19(10-3-1)25-26(21-15-14-18-8-4-5-11-20(18)16-21)30-27(29-25)23-17-28-24-13-7-6-12-22(23)24;24-16-7-3-5-14(11-16)21-22(15-6-4-8-17(25)12-15)28-23(27-21)19-13-26-20-10-2-1-9-18(19)20;1-27-19-11-5-15(6-12-19)21-22(16-7-13-20(28-2)14-8-16)25-23(24-21)17-3-9-18(26)10-4-17;22-17-10-6-15(7-11-17)20-19(14-4-2-1-3-5-14)23-21(24-20)16-8-12-18(25)13-9-16/h2*1-17,28H,(H,29,30);1-13,26H,(H,27,28);3-14,26H,1-2H3,(H,24,25);1-13,25H,(H,23,24).

What are the key properties of 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole?

3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole has a molecular weight of 2121.83 g/mol, XLogP of 32.20, 17 rotatable bonds, 10 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole;3-(5-naphthalen-1-yl-4-phenyl-1H-imidazol-2-yl)-1H-indole is sourced from PubChem (CID 158275478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).