3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C109H120B3I3N14O14 — CID 159198909

IUPAC3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1cccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3C)c1I.COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C.COc1cccc(I)c1C.COc1cccc(N)c1C.COc1cccc([N+](=O)[O-])c1C.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21
InChIInChI=1S/C22H17IN4O.C22H18N4O.C15H11IN4.C14H21BO3.C12H24B2O4.C8H9IO.C8H9NO3.C8H11NO/c1-27-18-11-10-13(14-6-5-9-19(28-2)20(14)23)12-15(18)21(26-27)22-24-16-7-3-4-8-17(16)25-22;1-13-15(6-5-9-20(13)27-2)14-10-11-17-16(12-14)21(26-25-17)22-23-18-7-3-4-8-19(18)24-22;1-20-13-7-6-9(16)8-10(13)14(19-20)15-17-11-4-2-3-5-12(11)18-15;1-10-11(8-7-9-12(10)16-6)15-17-13(2,3)14(4,5)18-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-7(9)4-3-5-8(6)10-2;1-6-7(9(10)11)4-3-5-8(6)12-2;1-6-7(9)4-3-5-8(6)10-2/h3-12H,1-2H3,(H,24,25);3-12H,1-2H3,(H,23,24)(H,25,26);2-8H,1H3,(H,17,18);7-9H,1-6H3;1-8H3;3-5H,1-2H3;3-5H,1-2H3;3-5H,9H2,1-2H3
InChIKeyKPAHRARGUPVQRT-UHFFFAOYSA-N
MW2263.39 g/mol
LogP24.87
Rot. Bonds14

About 3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159198909) has the molecular formula C109H120B3I3N14O14 and a molecular weight of 2263.39 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID159198909
Molecular FormulaC109H120B3I3N14O14
Molecular Weight2263.39 g/mol
Exact Mass2262.65
IUPAC Name3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1cccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3C)c1I.COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C.COc1cccc(I)c1C.COc1cccc(N)c1C.COc1cccc([N+](=O)[O-])c1C.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21
InChIInChI=1S/C22H17IN4O.C22H18N4O.C15H11IN4.C14H21BO3.C12H24B2O4.C8H9IO.C8H9NO3.C8H11NO/c1-27-18-11-10-13(14-6-5-9-19(28-2)20(14)23)12-15(18)21(26-27)22-24-16-7-3-4-8-17(16)25-22;1-13-15(6-5-9-20(13)27-2)14-10-11-17-16(12-14)21(26-25-17)22-23-18-7-3-4-8-19(18)24-22;1-20-13-7-6-9(16)8-10(13)14(19-20)15-17-11-4-2-3-5-12(11)18-15;1-10-11(8-7-9-12(10)16-6)15-17-13(2,3)14(4,5)18-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-7(9)4-3-5-8(6)10-2;1-6-7(9(10)11)4-3-5-8(6)12-2;1-6-7(9)4-3-5-8(6)10-2/h3-12H,1-2H3,(H,24,25);3-12H,1-2H3,(H,23,24)(H,25,26);2-8H,1H3,(H,17,18);7-9H,1-6H3;1-8H3;3-5H,1-2H3;3-5H,1-2H3;3-5H,9H2,1-2H3
InChIKeyKPAHRARGUPVQRT-UHFFFAOYSA-N
XLogP24.87
TPSA330.28 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002263.39
LogP ≤ 524.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158428650
3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid
CID 159109292
2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161259074
2-[[3-(1H-benzimidazol-2-yl)-5-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161471333
3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;2-[[3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 161640446

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159198909) is 3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1cccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3C)c1I.COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C.COc1cccc(I)c1C.COc1cccc(N)c1C.COc1cccc([N+](=O)[O-])c1C.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is KPAHRARGUPVQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17IN4O.C22H18N4O.C15H11IN4.C14H21BO3.C12H24B2O4.C8H9IO.C8H9NO3.C8H11NO/c1-27-18-11-10-13(14-6-5-9-19(28-2)20(14)23)12-15(18)21(26-27)22-24-16-7-3-4-8-17(16)25-22;1-13-15(6-5-9-20(13)27-2)14-10-11-17-16(12-14)21(26-25-17)22-23-18-7-3-4-8-19(18)24-22;1-20-13-7-6-9(16)8-10(13)14(19-20)15-17-11-4-2-3-5-12(11)18-15;1-10-11(8-7-9-12(10)16-6)15-17-13(2,3)14(4,5)18-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-7(9)4-3-5-8(6)10-2;1-6-7(9(10)11)4-3-5-8(6)12-2;1-6-7(9)4-3-5-8(6)10-2/h3-12H,1-2H3,(H,24,25);3-12H,1-2H3,(H,23,24)(H,25,26);2-8H,1H3,(H,17,18);7-9H,1-6H3;1-8H3;3-5H,1-2H3;3-5H,1-2H3;3-5H,9H2,1-2H3.
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2263.39 g/mol, XLogP of 24.87, 14 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole;1-iodo-3-methoxy-2-methylbenzene;3-methoxy-2-methylaniline;1-methoxy-2-methyl-3-nitrobenzene;2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159198909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).