1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride

C154H163B2BrCl3IN24O4 — CID 158368756

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride

1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride (PubChem CID 158368756) has the molecular formula C154H163B2BrCl3IN24O4 and a molecular weight of 2748.95 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride.

Molecular Properties

• Compound Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride
• PubChem CID: 158368756
• Molecular Formula: C154H163B2BrCl3IN24O4
• Molecular Weight: 2748.95 g/mol
• Exact Mass: 2745.08
• IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride
• SMILES: Brc1ccc2c(c1)C=NC2.CC(C)c1cccc(C(C)C)c1N1C=[N+](c2c(C(C)C)cccc2C(C)C)CC1.CC1(C)OB(c2ccnc(Cl)c2)OC1(C)C.CN(C)c1cc(C2=NCc3ccc(-c4cnn(C)c4)cc32)ccn1.CNC.Cn1cc(-c2ccc3c(c2)C=NC3)cn1.Cn1cc(-c2ccc3c(c2)c(-c2ccnc(Cl)c2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.Cn1cc(-c2ccc3c(c2)c(I)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.[Cl-]
• InChI: InChI=1S/C35H26ClN5.C30H23IN4.C27H39N2.C19H19N5.C12H11N3.C11H15BClNO2.C10H17BN2O2.C8H6BrN.C2H7N.ClH/c1-40-24-27(23-38-40)25-17-18-32-31(21-25)34(26-19-20-37-33(36)22-26)39-41(32)35(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30;1-34-21-23(20-32-34)22-17-18-28-27(19-22)29(31)33-35(28)30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-23(2)18-9-14(6-7-20-18)19-17-8-13(4-5-15(17)10-21-19)16-11-22-24(3)12-16;1-15-8-12(7-14-15)9-2-3-10-5-13-6-11(10)4-9;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-8-2-1-6-4-10-5-7(6)3-8;1-3-2;/h2-24H,1H3;2-21H,1H3;9-14,17-21H,15-16H2,1-8H3;4-9,11-12H,10H2,1-3H3;2-4,6-8H,5H2,1H3;5-7H,1-4H3;6-7H,1-5H3;1-3,5H,4H2;3H,1-2H3;1H/q;;+1;;;;;;;/p-1
• InChIKey: JZQNOMAMOKIMDK-UHFFFAOYSA-M
• XLogP: 29.14
• TPSA: 258.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2748.95
LogP ≤ 5	29.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride?

The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride (CID 158368756) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride.

What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride?

The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride is Brc1ccc2c(c1)C=NC2.CC(C)c1cccc(C(C)C)c1N1C=[N+](c2c(C(C)C)cccc2C(C)C)CC1.CC1(C)OB(c2ccnc(Cl)c2)OC1(C)C.CN(C)c1cc(C2=NCc3ccc(-c4cnn(C)c4)cc32)ccn1.CNC.Cn1cc(-c2ccc3c(c2)C=NC3)cn1.Cn1cc(-c2ccc3c(c2)c(-c2ccnc(Cl)c2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.Cn1cc(-c2ccc3c(c2)c(I)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.[Cl-].

What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride?

The InChIKey is JZQNOMAMOKIMDK-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H26ClN5.C30H23IN4.C27H39N2.C19H19N5.C12H11N3.C11H15BClNO2.C10H17BN2O2.C8H6BrN.C2H7N.ClH/c1-40-24-27(23-38-40)25-17-18-32-31(21-25)34(26-19-20-37-33(36)22-26)39-41(32)35(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30;1-34-21-23(20-32-34)22-17-18-28-27(19-22)29(31)33-35(28)30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-23(2)18-9-14(6-7-20-18)19-17-8-13(4-5-15(17)10-21-19)16-11-22-24(3)12-16;1-15-8-12(7-14-15)9-2-3-10-5-13-6-11(10)4-9;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-8-2-1-6-4-10-5-7(6)3-8;1-3-2;/h2-24H,1H3;2-21H,1H3;9-14,17-21H,15-16H2,1-8H3;4-9,11-12H,10H2,1-3H3;2-4,6-8H,5H2,1H3;5-7H,1-4H3;6-7H,1-5H3;1-3,5H,4H2;3H,1-2H3;1H/q;;+1;;;;;;;/p-1.

What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride?

1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride has a molecular weight of 2748.95 g/mol, XLogP of 29.14, 23 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride is sourced from PubChem (CID 158368756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).