3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline

C123H97BrN16O4S2 — CID 159988835

About 3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline

3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline (PubChem CID 159988835) has the molecular formula C123H97BrN16O4S2 and a molecular weight of 2007.27 g/mol. Its IUPAC name is 3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline.

Molecular Properties

• Compound Name: 3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline
• PubChem CID: 159988835
• Molecular Formula: C123H97BrN16O4S2
• Molecular Weight: 2007.27 g/mol
• Exact Mass: 2004.65
• IUPAC Name: 3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline
• SMILES: Brc1ccc2[nH]cc(-c3nc(C4=CCc5ccccc54)c(C4=CCc5ccccc54)[nH]3)c2c1.COc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)[nH]c2-c2ccccc2)cc1OC.COc1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccccc2)cc1OC.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(N)cc2)[nH]1.c1csc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2cccs2)c1
• InChI: InChI=1S/C29H20BrN3.C26H23N3O2.C25H21N3O2.C24H20N4.C19H13N3S2/c30-19-11-14-26-24(15-19)25(16-31-26)29-32-27(22-12-9-17-5-1-3-7-20(17)22)28(33-29)23-13-10-18-6-2-4-8-21(18)23;1-16-23(19-11-7-8-12-20(19)27-16)26-28-24(17-9-5-4-6-10-17)25(29-26)18-13-14-21(30-2)22(15-18)31-3;1-29-21-13-12-17(14-22(21)30-2)24-23(16-8-4-3-5-9-16)27-25(28-24)19-15-26-20-11-7-6-10-18(19)20;1-15-21(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;1-2-6-14-12(5-1)13(11-20-14)19-21-17(15-7-3-9-23-15)18(22-19)16-8-4-10-24-16/h1-8,11-16,31H,9-10H2,(H,32,33);4-15,27H,1-3H3,(H,28,29);3-15,26H,1-2H3,(H,27,28);2-14,26H,25H2,1H3,(H,27,28);1-11,20H,(H,21,22)
• InChIKey: OGRIYACKXDTRGZ-UHFFFAOYSA-N
• XLogP: 31.22
• TPSA: 285.29 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2007.27
LogP ≤ 5	31.22
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline?

The IUPAC name of 3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline (CID 159988835) is 3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline.

What is the SMILES notation for 3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline?

The canonical SMILES for 3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline is Brc1ccc2[nH]cc(-c3nc(C4=CCc5ccccc54)c(C4=CCc5ccccc54)[nH]3)c2c1.COc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)[nH]c2-c2ccccc2)cc1OC.COc1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccccc2)cc1OC.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(N)cc2)[nH]1.c1csc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2cccs2)c1.

What is the InChIKey of 3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline?

The InChIKey is OGRIYACKXDTRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20BrN3.C26H23N3O2.C25H21N3O2.C24H20N4.C19H13N3S2/c30-19-11-14-26-24(15-19)25(16-31-26)29-32-27(22-12-9-17-5-1-3-7-20(17)22)28(33-29)23-13-10-18-6-2-4-8-21(18)23;1-16-23(19-11-7-8-12-20(19)27-16)26-28-24(17-9-5-4-6-10-17)25(29-26)18-13-14-21(30-2)22(15-18)31-3;1-29-21-13-12-17(14-22(21)30-2)24-23(16-8-4-3-5-9-16)27-25(28-24)19-15-26-20-11-7-6-10-18(19)20;1-15-21(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;1-2-6-14-12(5-1)13(11-20-14)19-21-17(15-7-3-9-23-15)18(22-19)16-8-4-10-24-16/h1-8,11-16,31H,9-10H2,(H,32,33);4-15,27H,1-3H3,(H,28,29);3-15,26H,1-2H3,(H,27,28);2-14,26H,25H2,1H3,(H,27,28);1-11,20H,(H,21,22).

What are the key properties of 3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline?

3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline has a molecular weight of 2007.27 g/mol, XLogP of 31.22, 19 rotatable bonds, 11 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,5-bis(3H-inden-1-yl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole;3-[4-(3,4-dimethoxyphenyl)-5-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;3-(4,5-dithiophen-2-yl-1H-imidazol-2-yl)-1H-indole;4-[2-(2-methyl-1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]aniline is sourced from PubChem (CID 159988835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).