4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine

C114H76Br4F3N19O5 — CID 161382968

About 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine

4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine (PubChem CID 161382968) has the molecular formula C114H76Br4F3N19O5 and a molecular weight of 2168.60 g/mol. Its IUPAC name is 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine.

Molecular Properties

• Compound Name: 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
• PubChem CID: 161382968
• Molecular Formula: C114H76Br4F3N19O5
• Molecular Weight: 2168.60 g/mol
• Exact Mass: 2163.30
• IUPAC Name: 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
• SMILES: Cc1[nH]c2ccccc2c1-c1nc2c3cc(N)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.FC(F)(F)c1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)c1.O=[N+]([O-])c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1.Oc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)cc1
• InChI: InChI=1S/C24H15BrF3N3.C24H18N4.C23H14BrN5O4.C22H15N5.C21H14Br2N2O/c25-17-9-10-20-18(12-17)19(13-29-20)23-30-21(14-5-2-1-3-6-14)22(31-23)15-7-4-8-16(11-15)24(26,27)28;1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-17-7-3-2-6-15(17)16-11-10-14(25)12-19(16)23(22)28-24;24-15-5-10-20-18(11-15)19(12-25-20)23-26-21(13-1-6-16(7-2-13)28(30)31)22(27-23)14-3-8-17(9-4-14)29(32)33;1-12-17(13-6-2-3-9-16(13)25-12)22-26-20-14-7-4-10-23-18(14)19-15(21(20)27-22)8-5-11-24-19;22-16-7-1-13(2-8-16)19-20(14-3-9-17(23)10-4-14)25-21(24-19)15-5-11-18(26)12-6-15/h1-13,29H,(H,30,31);2-12,26H,25H2,1H3,(H,27,28);1-12,25H,(H,26,27);2-11,25H,1H3,(H,26,27);1-12,26H,(H,24,25)
• InChIKey: VRYQNQYHMKLSJU-UHFFFAOYSA-N
• XLogP: 31.81
• TPSA: 364.87 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2168.60
LogP ≤ 5	31.81
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?

The IUPAC name of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine (CID 161382968) is 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine.

What is the SMILES notation for 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?

The canonical SMILES for 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine is Cc1[nH]c2ccccc2c1-c1nc2c3cc(N)ccc3c3ccccc3c2[nH]1.Cc1[nH]c2ccccc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.FC(F)(F)c1cccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)c1.O=[N+]([O-])c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1.Oc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)[nH]2)cc1.

What is the InChIKey of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?

The InChIKey is VRYQNQYHMKLSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrF3N3.C24H18N4.C23H14BrN5O4.C22H15N5.C21H14Br2N2O/c25-17-9-10-20-18(12-17)19(13-29-20)23-30-21(14-5-2-1-3-6-14)22(31-23)15-7-4-8-16(11-15)24(26,27)28;1-13-21(18-8-4-5-9-20(18)26-13)24-27-22-17-7-3-2-6-15(17)16-11-10-14(25)12-19(16)23(22)28-24;24-15-5-10-20-18(11-15)19(12-25-20)23-26-21(13-1-6-16(7-2-13)28(30)31)22(27-23)14-3-8-17(9-4-14)29(32)33;1-12-17(13-6-2-3-9-16(13)25-12)22-26-20-14-7-4-10-23-18(14)19-15(21(20)27-22)8-5-11-24-19;22-16-7-1-13(2-8-16)19-20(14-3-9-17(23)10-4-14)25-21(24-19)15-5-11-18(26)12-6-15/h1-13,29H,(H,30,31);2-12,26H,25H2,1H3,(H,27,28);1-12,25H,(H,26,27);2-11,25H,1H3,(H,26,27);1-12,26H,(H,24,25).

What are the key properties of 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?

4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine has a molecular weight of 2168.60 g/mol, XLogP of 31.81, 13 rotatable bonds, 11 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]phenol;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine is sourced from PubChem (CID 161382968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).