benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1-methylindazole;5-iodo-1-methylindazole-3-carbaldehyde;5-iodo-1-methyl-3-[(E)-2-phenylethenyl]indazole;methane;(4-methoxyphenyl)boronic acid

C97H86BI3N18O6 — CID 157144197

About benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1-methylindazole;5-iodo-1-methylindazole-3-carbaldehyde;5-iodo-1-methyl-3-[(E)-2-phenylethenyl]indazole;methane;(4-methoxyphenyl)boronic acid

benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1-methylindazole;5-iodo-1-methylindazole-3-carbaldehyde;5-iodo-1-methyl-3-[(E)-2-phenylethenyl]indazole;methane;(4-methoxyphenyl)boronic acid (PubChem CID 157144197) has the molecular formula C97H86BI3N18O6 and a molecular weight of 1991.40 g/mol. Its IUPAC name is benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1-methylindazole;5-iodo-1-methylindazole-3-carbaldehyde;5-iodo-1-methyl-3-[(E)-2-phenylethenyl]indazole;methane;(4-methoxyphenyl)boronic acid.

Molecular Properties

• Compound Name: benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1-methylindazole;5-iodo-1-methylindazole-3-carbaldehyde;5-iodo-1-methyl-3-[(E)-2-phenylethenyl]indazole;methane;(4-methoxyphenyl)boronic acid
• PubChem CID: 157144197
• Molecular Formula: C97H86BI3N18O6
• Molecular Weight: 1991.40 g/mol
• Exact Mass: 1990.42
• IUPAC Name: benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1-methylindazole;5-iodo-1-methylindazole-3-carbaldehyde;5-iodo-1-methyl-3-[(E)-2-phenylethenyl]indazole;methane;(4-methoxyphenyl)boronic acid
• SMILES: C.COc1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1.COc1ccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3C)cc1.COc1ccc(B(O)O)cc1.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21.Cn1nc(/C=C/c2ccccc2)c2cc(I)ccc21.Cn1nc(C=O)c2cc(I)ccc21.Nc1ccccc1N
• InChI: InChI=1S/C22H18N4O.C21H16N4O.C16H13IN2.C15H11IN4.C9H7IN2O.C7H9BO3.C6H8N2.CH4/c1-26-20-12-9-15(14-7-10-16(27-2)11-8-14)13-17(20)21(25-26)22-23-18-5-3-4-6-19(18)24-22;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;1-19-16-10-8-13(17)11-14(16)15(18-19)9-7-12-5-3-2-4-6-12;1-20-13-7-6-9(16)8-10(13)14(19-20)15-17-11-4-2-3-5-12(11)18-15;1-12-9-3-2-6(10)4-7(9)8(5-13)11-12;1-11-7-4-2-6(3-5-7)8(9)10;7-5-3-1-2-4-6(5)8;/h3-13H,1-2H3,(H,23,24);2-12H,1H3,(H,22,23)(H,24,25);2-11H,1H3;2-8H,1H3,(H,17,18);2-5H,1H3;2-5,9-10H,1H3;1-4H,7-8H2;1H4/b;;9-7+
• InChIKey: AKNIIQFFHSOPDM-JUEUQVJESA-N
• XLogP: 20.50
• TPSA: 323.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1991.40
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1-methylindazole;5-iodo-1-methylindazole-3-carbaldehyde;5-iodo-1-methyl-3-[(E)-2-phenylethenyl]indazole;methane;(4-methoxyphenyl)boronic acid?

The IUPAC name of benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1-methylindazole;5-iodo-1-methylindazole-3-carbaldehyde;5-iodo-1-methyl-3-[(E)-2-phenylethenyl]indazole;methane;(4-methoxyphenyl)boronic acid (CID 157144197) is benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1-methylindazole;5-iodo-1-methylindazole-3-carbaldehyde;5-iodo-1-methyl-3-[(E)-2-phenylethenyl]indazole;methane;(4-methoxyphenyl)boronic acid.

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

The canonical SMILES for benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1-methylindazole;5-iodo-1-methylindazole-3-carbaldehyde;5-iodo-1-methyl-3-[(E)-2-phenylethenyl]indazole;methane;(4-methoxyphenyl)boronic acid is C.COc1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1.COc1ccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3C)cc1.COc1ccc(B(O)O)cc1.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21.Cn1nc(/C=C/c2ccccc2)c2cc(I)ccc21.Cn1nc(C=O)c2cc(I)ccc21.Nc1ccccc1N.

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

The InChIKey is AKNIIQFFHSOPDM-JUEUQVJESA-N. The full InChI is InChI=1S/C22H18N4O.C21H16N4O.C16H13IN2.C15H11IN4.C9H7IN2O.C7H9BO3.C6H8N2.CH4/c1-26-20-12-9-15(14-7-10-16(27-2)11-8-14)13-17(20)21(25-26)22-23-18-5-3-4-6-19(18)24-22;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;1-19-16-10-8-13(17)11-14(16)15(18-19)9-7-12-5-3-2-4-6-12;1-20-13-7-6-9(16)8-10(13)14(19-20)15-17-11-4-2-3-5-12(11)18-15;1-12-9-3-2-6(10)4-7(9)8(5-13)11-12;1-11-7-4-2-6(3-5-7)8(9)10;7-5-3-1-2-4-6(5)8;/h3-13H,1-2H3,(H,23,24);2-12H,1H3,(H,22,23)(H,24,25);2-11H,1H3;2-8H,1H3,(H,17,18);2-5H,1H3;2-5,9-10H,1H3;1-4H,7-8H2;1H4/b;;9-7+;;;;;.

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

benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1-methylindazole;5-iodo-1-methylindazole-3-carbaldehyde;5-iodo-1-methyl-3-[(E)-2-phenylethenyl]indazole;methane;(4-methoxyphenyl)boronic acid has a molecular weight of 1991.40 g/mol, XLogP of 20.50, 12 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for benzene-1,2-diamine;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1-methylindazole;5-iodo-1-methylindazole-3-carbaldehyde;5-iodo-1-methyl-3-[(E)-2-phenylethenyl]indazole;methane;(4-methoxyphenyl)boronic acid is sourced from PubChem (CID 157144197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).