3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C86H104BClN12O9Si4 — CID 157420732

About 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 157420732) has the molecular formula C86H104BClN12O9Si4 and a molecular weight of 1608.46 g/mol. Its IUPAC name is 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 157420732
• Molecular Formula: C86H104BClN12O9Si4
• Molecular Weight: 1608.46 g/mol
• Exact Mass: 1606.69
• IUPAC Name: 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4n2COCC[Si](C)(C)C)nn3COCC[Si](C)(C)C)c1.COc1cccc(B(O)O)c1.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2cc(Cl)ccc21.Oc1cccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C33H44N4O3Si2.C26H37ClN4O2Si2.C20H14N4O.C7H9BO3/c1-38-27-12-10-11-25(21-27)26-15-16-30-28(22-26)32(35-37(30)24-40-18-20-42(5,6)7)33-34-29-13-8-9-14-31(29)36(33)23-39-17-19-41(2,3)4;1-34(2,3)15-13-32-18-30-24-10-8-7-9-22(24)28-26(30)25-21-17-20(27)11-12-23(21)31(29-25)19-33-14-16-35(4,5)6;25-14-5-3-4-12(10-14)13-8-9-16-15(11-13)19(24-23-16)20-21-17-6-1-2-7-18(17)22-20;1-11-7-4-2-3-6(5-7)8(9)10/h8-16,21-22H,17-20,23-24H2,1-7H3;7-12,17H,13-16,18-19H2,1-6H3;1-11,25H,(H,21,22)(H,23,24);2-5,9-10H,1H3
• InChIKey: BPJHGCDHYKZLJX-UHFFFAOYSA-N
• XLogP: 19.54
• TPSA: 244.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 28
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1608.46
LogP ≤ 5	19.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 157420732) is 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4n2COCC[Si](C)(C)C)nn3COCC[Si](C)(C)C)c1.COc1cccc(B(O)O)c1.C[Si](C)(C)CCOCn1nc(-c2nc3ccccc3n2COCC[Si](C)(C)C)c2cc(Cl)ccc21.Oc1cccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1.

What is the InChIKey of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is BPJHGCDHYKZLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4O3Si2.C26H37ClN4O2Si2.C20H14N4O.C7H9BO3/c1-38-27-12-10-11-25(21-27)26-15-16-30-28(22-26)32(35-37(30)24-40-18-20-42(5,6)7)33-34-29-13-8-9-14-31(29)36(33)23-39-17-19-41(2,3)4;1-34(2,3)15-13-32-18-30-24-10-8-7-9-22(24)28-26(30)25-21-17-20(27)11-12-23(21)31(29-25)19-33-14-16-35(4,5)6;25-14-5-3-4-12(10-14)13-8-9-16-15(11-13)19(24-23-16)20-21-17-6-1-2-7-18(17)22-20;1-11-7-4-2-3-6(5-7)8(9)10/h8-16,21-22H,17-20,23-24H2,1-7H3;7-12,17H,13-16,18-19H2,1-6H3;1-11,25H,(H,21,22)(H,23,24);2-5,9-10H,1H3.

What are the key properties of 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1608.46 g/mol, XLogP of 19.54, 28 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;2-[[5-chloro-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane;(3-methoxyphenyl)boronic acid;2-[[5-(3-methoxyphenyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 157420732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).