butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole

C200H183Cl8N20O12S2+3 — CID 159039660

About butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole

butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole (PubChem CID 159039660) has the molecular formula C200H183Cl8N20O12S2+3 and a molecular weight of 3406.55 g/mol. Its IUPAC name is butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole.

Molecular Properties

• Compound Name: butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
• PubChem CID: 159039660
• Molecular Formula: C200H183Cl8N20O12S2+3
• Molecular Weight: 3406.55 g/mol
• Exact Mass: 3400.13
• IUPAC Name: butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole
• SMILES: CCCC[N+](C)(C)CCOc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2C2(c3cccc(OCC[N+](C)(C)CCCS(=O)(=O)O)c3Cl)N=C(c3ccccc3)C(c3ccccc3)=N2)c1Cl.CCCC[N+](C)(C)Cc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1C1(c2ccccc2C[N+](C)(C)CCCS(=O)(=O)[O-])N=C(c2ccccc2)C(c2ccccc2)=N1.COc1cccc(C2=NC(c3ccccc3Cl)(n3c(-c4ccccc4Cl)nc(-c4cccc(CO)c4)c3-c3cccc(OC)c3)N=C2c2cccc(CO)c2)c1.Clc1cccc(Cl)c1-c1nc(-c2ccccc2)c(-c2ccccc2)n1C1(c2c(Cl)cccc2Cl)N=C(c2ccccc2)C(c2ccccc2)=N1
• InChI: InChI=1S/C57H61Cl2N6O5S.C55H59N6O3S.C46H36Cl2N4O4.C42H26Cl4N4/c1-6-7-35-64(2,3)37-39-69-48-33-20-31-46(50(48)58)56-60-54(44-27-16-10-17-28-44)55(45-29-18-11-19-30-45)63(56)57(61-52(42-23-12-8-13-24-42)53(62-57)43-25-14-9-15-26-43)47-32-21-34-49(51(47)59)70-40-38-65(4,5)36-22-41-71(66,67)68;1-6-7-37-60(2,3)40-46-33-20-22-35-48(46)54-56-52(44-29-16-10-17-30-44)53(45-31-18-11-19-32-45)59(54)55(49-36-23-21-34-47(49)41-61(4,5)38-24-39-65(62,63)64)57-50(42-25-12-8-13-26-42)51(58-55)43-27-14-9-15-28-43;1-55-35-17-9-15-33(25-35)42-41(31-13-7-11-29(23-31)27-53)50-46(51-42,38-20-4-6-22-40(38)48)52-44(34-16-10-18-36(26-34)56-2)43(32-14-8-12-30(24-32)28-54)49-45(52)37-19-3-5-21-39(37)47;43-31-23-13-24-32(44)35(31)41-47-39(29-19-9-3-10-20-29)40(30-21-11-4-12-22-30)50(41)42(36-33(45)25-14-26-34(36)46)48-37(27-15-5-1-6-16-27)38(49-42)28-17-7-2-8-18-28/h8-21,23-34H,6-7,22,35-41H2,1-5H3;8-23,25-36H,6-7,24,37-41H2,1-5H3;3-26,53-54H,27-28H2,1-2H3;1-26H/q2*+1;;/p+1
• InChIKey: JVWYQLGOLLLNCH-UHFFFAOYSA-O
• XLogP: 44.25
• TPSA: 359.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 58
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3406.55
LogP ≤ 5	44.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?

The IUPAC name of butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole (CID 159039660) is butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole.

What is the SMILES notation for butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?

The canonical SMILES for butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole is CCCC[N+](C)(C)CCOc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2C2(c3cccc(OCC[N+](C)(C)CCCS(=O)(=O)O)c3Cl)N=C(c3ccccc3)C(c3ccccc3)=N2)c1Cl.CCCC[N+](C)(C)Cc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1C1(c2ccccc2C[N+](C)(C)CCCS(=O)(=O)[O-])N=C(c2ccccc2)C(c2ccccc2)=N1.COc1cccc(C2=NC(c3ccccc3Cl)(n3c(-c4ccccc4Cl)nc(-c4cccc(CO)c4)c3-c3cccc(OC)c3)N=C2c2cccc(CO)c2)c1.Clc1cccc(Cl)c1-c1nc(-c2ccccc2)c(-c2ccccc2)n1C1(c2c(Cl)cccc2Cl)N=C(c2ccccc2)C(c2ccccc2)=N1.

What is the InChIKey of butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?

The InChIKey is JVWYQLGOLLLNCH-UHFFFAOYSA-O. The full InChI is InChI=1S/C57H61Cl2N6O5S.C55H59N6O3S.C46H36Cl2N4O4.C42H26Cl4N4/c1-6-7-35-64(2,3)37-39-69-48-33-20-31-46(50(48)58)56-60-54(44-27-16-10-17-28-44)55(45-29-18-11-19-30-45)63(56)57(61-52(42-23-12-8-13-24-42)53(62-57)43-25-14-9-15-26-43)47-32-21-34-49(51(47)59)70-40-38-65(4,5)36-22-41-71(66,67)68;1-6-7-37-60(2,3)40-46-33-20-22-35-48(46)54-56-52(44-29-16-10-17-30-44)53(45-31-18-11-19-32-45)59(54)55(49-36-23-21-34-47(49)41-61(4,5)38-24-39-65(62,63)64)57-50(42-25-12-8-13-26-42)51(58-55)43-27-14-9-15-28-43;1-55-35-17-9-15-33(25-35)42-41(31-13-7-11-29(23-31)27-53)50-46(51-42,38-20-4-6-22-40(38)48)52-44(34-16-10-18-36(26-34)56-2)43(32-14-8-12-30(24-32)28-54)49-45(52)37-19-3-5-21-39(37)47;43-31-23-13-24-32(44)35(31)41-47-39(29-19-9-3-10-20-29)40(30-21-11-4-12-22-30)50(41)42(36-33(45)25-14-26-34(36)46)48-37(27-15-5-1-6-16-27)38(49-42)28-17-7-2-8-18-28/h8-21,23-34H,6-7,22,35-41H2,1-5H3;8-23,25-36H,6-7,24,37-41H2,1-5H3;3-26,53-54H,27-28H2,1-2H3;1-26H/q2*+1;;/p+1.

What are the key properties of butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole?

butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole has a molecular weight of 3406.55 g/mol, XLogP of 44.25, 58 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for butyl-[2-[2-chloro-3-[1-[2-[2-chloro-3-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethoxy]phenyl]-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazol-2-yl]phenoxy]ethyl]-dimethylazanium;3-[[2-[2-[2-[2-[[butyl(dimethyl)azaniumyl]methyl]phenyl]-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazol-2-yl]phenyl]methyl-dimethylazaniumyl]propane-1-sulfonate;[3-[2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4-[3-(hydroxymethyl)phenyl]-5-(3-methoxyphenyl)imidazol-2-yl]-5-(3-methoxyphenyl)imidazol-4-yl]phenyl]methanol;2-(2,6-dichlorophenyl)-1-[2-(2,6-dichlorophenyl)-4,5-diphenylimidazol-2-yl]-4,5-diphenylimidazole is sourced from PubChem (CID 159039660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).