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

C116H84Br2I2N12O5 — CID 158969943

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

3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole (PubChem CID 158969943) has the molecular formula C116H84Br2I2N12O5 and a molecular weight of 2139.64 g/mol. Its IUPAC name is 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole.

Molecular Properties

• Compound Name: 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole
• PubChem CID: 158969943
• Molecular Formula: C116H84Br2I2N12O5
• Molecular Weight: 2139.64 g/mol
• Exact Mass: 2136.31
• IUPAC Name: 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole
• SMILES: COc1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(C)cc2)cc1.Ic1cccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2cccc(I)c2)c1.O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1.Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1.c1ccc(-c2[nH]c(-c3c[nH]c4ccccc34)nc2-c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C27H19N3.C23H15I2N3.C23H20N2O2.C22H15BrN2O2.C21H15BrN2O/c1-2-9-19(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;1-15-3-5-16(6-4-15)21-22(17-9-13-20(27-2)14-10-17)25-23(24-21)18-7-11-19(26)12-8-18;23-18-12-10-15(11-13-18)20-19(14-4-2-1-3-5-14)24-21(25-20)16-6-8-17(9-7-16)22(26)27;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/h1-17,28H,(H,29,30);1-13,26H,(H,27,28);3-14,26H,1-2H3,(H,24,25);1-13H,(H,24,25)(H,26,27);1-13,25H,(H,23,24)
• InChIKey: JNRGMGFTBNWQAC-UHFFFAOYSA-N
• XLogP: 31.33
• TPSA: 261.97 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2139.64
LogP ≤ 5	31.33
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-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole?

The IUPAC name of 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole (CID 158969943) is 3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-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-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole?

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

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

The InChIKey is JNRGMGFTBNWQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3.C23H15I2N3.C23H20N2O2.C22H15BrN2O2.C21H15BrN2O/c1-2-9-19(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;1-15-3-5-16(6-4-15)21-22(17-9-13-20(27-2)14-10-17)25-23(24-21)18-7-11-19(26)12-8-18;23-18-12-10-15(11-13-18)20-19(14-4-2-1-3-5-14)24-21(25-20)16-6-8-17(9-7-16)22(26)27;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/h1-17,28H,(H,29,30);1-13,26H,(H,27,28);3-14,26H,1-2H3,(H,24,25);1-13H,(H,24,25)(H,26,27);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-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole?

3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-1H-indole;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole has a molecular weight of 2139.64 g/mol, XLogP of 31.33, 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-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]benzoic acid;4-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]phenol;4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazol-2-yl]phenol;3-(4-naphthalen-2-yl-5-phenyl-1H-imidazol-2-yl)-1H-indole is sourced from PubChem (CID 158969943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).