benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid

C117H134BI3N18O10Si4 — CID 158962421

About benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid

benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid (PubChem CID 158962421) has the molecular formula C117H134BI3N18O10Si4 and a molecular weight of 2456.34 g/mol. Its IUPAC name is benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid.

Molecular Properties

• Compound Name: benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid
• PubChem CID: 158962421
• Molecular Formula: C117H134BI3N18O10Si4
• Molecular Weight: 2456.34 g/mol
• Exact Mass: 2454.68
• IUPAC Name: benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid
• SMILES: C.COc1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1.COc1ccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)cc1.COc1ccc(B(O)O)cc1.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(I)ccc21.C[Si](C)(C)CCOCn1nc(C=O)c2cc(I)ccc21.Nc1ccccc1N
• InChI: InChI=1S/C27H30N4O2Si.C21H25IN2OSi.C21H16N4O.C20H23IN4OSi.C14H19IN2O2Si.C7H9BO3.C6H8N2.CH4/c1-32-21-12-9-19(10-13-21)20-11-14-25-22(17-20)26(27-28-23-7-5-6-8-24(23)29-27)30-31(25)18-33-15-16-34(2,3)4;1-26(2,3)14-13-25-16-24-21-12-10-18(22)15-19(21)20(23-24)11-9-17-7-5-4-6-8-17;1-26-15-9-6-13(7-10-15)14-8-11-17-16(12-14)20(25-24-17)21-22-18-4-2-3-5-19(18)23-21;1-27(2,3)11-10-26-13-25-18-9-8-14(21)12-15(18)19(24-25)20-22-16-6-4-5-7-17(16)23-20;1-20(2,3)7-6-19-10-17-14-5-4-11(15)8-12(14)13(9-18)16-17;1-11-7-4-2-6(3-5-7)8(9)10;7-5-3-1-2-4-6(5)8;/h5-14,17H,15-16,18H2,1-4H3,(H,28,29);4-12,15H,13-14,16H2,1-3H3;2-12H,1H3,(H,22,23)(H,24,25);4-9,12H,10-11,13H2,1-3H3,(H,22,23);4-5,8-9H,6-7,10H2,1-3H3;2-5,9-10H,1H3;1-4H,7-8H2;1H4/b;11-9+
• InChIKey: JMUBWKKWPZQCKC-JRJISRTNSA-N
• XLogP: 27.60
• TPSA: 360.18 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2456.34
LogP ≤ 5	27.60
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid?

The IUPAC name of benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid (CID 158962421) is benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid.

What is the SMILES notation for benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid?

The canonical SMILES for benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid is C.COc1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1.COc1ccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)cc1.COc1ccc(B(O)O)cc1.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21.C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(I)ccc21.C[Si](C)(C)CCOCn1nc(C=O)c2cc(I)ccc21.Nc1ccccc1N.

What is the InChIKey of benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid?

The InChIKey is JMUBWKKWPZQCKC-JRJISRTNSA-N. The full InChI is InChI=1S/C27H30N4O2Si.C21H25IN2OSi.C21H16N4O.C20H23IN4OSi.C14H19IN2O2Si.C7H9BO3.C6H8N2.CH4/c1-32-21-12-9-19(10-13-21)20-11-14-25-22(17-20)26(27-28-23-7-5-6-8-24(23)29-27)30-31(25)18-33-15-16-34(2,3)4;1-26(2,3)14-13-25-16-24-21-12-10-18(22)15-19(21)20(23-24)11-9-17-7-5-4-6-8-17;1-26-15-9-6-13(7-10-15)14-8-11-17-16(12-14)20(25-24-17)21-22-18-4-2-3-5-19(18)23-21;1-27(2,3)11-10-26-13-25-18-9-8-14(21)12-15(18)19(24-25)20-22-16-6-4-5-7-17(16)23-20;1-20(2,3)7-6-19-10-17-14-5-4-11(15)8-12(14)13(9-18)16-17;1-11-7-4-2-6(3-5-7)8(9)10;7-5-3-1-2-4-6(5)8;/h5-14,17H,15-16,18H2,1-4H3,(H,28,29);4-12,15H,13-14,16H2,1-3H3;2-12H,1H3,(H,22,23)(H,24,25);4-9,12H,10-11,13H2,1-3H3,(H,22,23);4-5,8-9H,6-7,10H2,1-3H3;2-5,9-10H,1H3;1-4H,7-8H2;1H4/b;11-9+;;;;;;.

What are the key properties of benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid?

benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid has a molecular weight of 2456.34 g/mol, XLogP of 27.60, 32 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for benzene-1,2-diamine;2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde;methane;(4-methoxyphenyl)boronic acid is sourced from PubChem (CID 158962421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).