potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium

C103H87BBrKN21O12Pd- — CID 172981717

About potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium

potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium (PubChem CID 172981717) has the molecular formula C103H87BBrKN21O12Pd- and a molecular weight of 2047.20 g/mol. Its IUPAC name is potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium.

Molecular Properties

• Compound Name: potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium
• PubChem CID: 172981717
• Molecular Formula: C103H87BBrKN21O12Pd-
• Molecular Weight: 2047.20 g/mol
• Exact Mass: 2044.48
• IUPAC Name: potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium
• SMILES: CC(C)(C)[O-].N#Cc1ccc(B(O)O)cc1.N#Cc1ccc(N)c(N)c1.N/C(=N\O)c1ccc2nc(-c3cccc(-c4ccc(/C(N)=N\O)cc4)c3O)[nH]c2c1.O=Cc1cccc(Br)c1O.[C-]#[N+]c1ccc(-c2cccc(-c3nc4ccc(C#N)cc4[nH]3)c2O)cc1.[C-]#[N+]c1ccc(-c2cccc(C=O)c2O)cc1.[CH3-].[H]/N=C(\N)c1ccc(-c2cccc(-c3nc4ccc(/C(N)=N/[H])cc4[nH]3)c2O)cc1.[K+].[Pd]
• InChI: InChI=1S/C21H18N6O3.C21H18N6O.C21H12N4O.C14H9NO2.C7H6BNO2.C7H5BrO2.C7H7N3.C4H9O.CH3.K.Pd/c22-19(26-29)12-6-4-11(5-7-12)14-2-1-3-15(18(14)28)21-24-16-9-8-13(20(23)27-30)10-17(16)25-21;22-19(23)12-6-4-11(5-7-12)14-2-1-3-15(18(14)28)21-26-16-9-8-13(20(24)25)10-17(16)27-21;1-23-15-8-6-14(7-9-15)16-3-2-4-17(20(16)26)21-24-18-10-5-13(12-22)11-19(18)25-21;1-15-12-7-5-10(6-8-12)13-4-2-3-11(9-16)14(13)17;9-5-6-1-3-7(4-2-6)8(10)11;8-6-3-1-2-5(4-9)7(6)10;8-4-5-1-2-6(9)7(10)3-5;1-4(2,3)5;;;/h1-10,28-30H,(H2,22,26)(H2,23,27)(H,24,25);1-10,28H,(H3,22,23)(H3,24,25)(H,26,27);2-11,26H,(H,24,25);2-9,17H;1-4,10-11H;1-4,10H;1-3H,9-10H2;1-3H3;1H3;;/q;;;;;;;2*-1;+1
• InChIKey: MKSVMBXRTFYANC-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 633.94 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2047.20
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium?

The IUPAC name of potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium (CID 172981717) is potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium.

What is the SMILES notation for potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium?

The canonical SMILES for potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium is CC(C)(C)[O-].N#Cc1ccc(B(O)O)cc1.N#Cc1ccc(N)c(N)c1.N/C(=N\O)c1ccc2nc(-c3cccc(-c4ccc(/C(N)=N\O)cc4)c3O)[nH]c2c1.O=Cc1cccc(Br)c1O.[C-]#[N+]c1ccc(-c2cccc(-c3nc4ccc(C#N)cc4[nH]3)c2O)cc1.[C-]#[N+]c1ccc(-c2cccc(C=O)c2O)cc1.[CH3-].[H]/N=C(\N)c1ccc(-c2cccc(-c3nc4ccc(/C(N)=N/[H])cc4[nH]3)c2O)cc1.[K+].[Pd].

What is the InChIKey of potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium?

The InChIKey is MKSVMBXRTFYANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3.C21H18N6O.C21H12N4O.C14H9NO2.C7H6BNO2.C7H5BrO2.C7H7N3.C4H9O.CH3.K.Pd/c22-19(26-29)12-6-4-11(5-7-12)14-2-1-3-15(18(14)28)21-24-16-9-8-13(20(23)27-30)10-17(16)25-21;22-19(23)12-6-4-11(5-7-12)14-2-1-3-15(18(14)28)21-26-16-9-8-13(20(24)25)10-17(16)27-21;1-23-15-8-6-14(7-9-15)16-3-2-4-17(20(16)26)21-24-18-10-5-13(12-22)11-19(18)25-21;1-15-12-7-5-10(6-8-12)13-4-2-3-11(9-16)14(13)17;9-5-6-1-3-7(4-2-6)8(10)11;8-6-3-1-2-5(4-9)7(6)10;8-4-5-1-2-6(9)7(10)3-5;1-4(2,3)5;;;/h1-10,28-30H,(H2,22,26)(H2,23,27)(H,24,25);1-10,28H,(H3,22,23)(H3,24,25)(H,26,27);2-11,26H,(H,24,25);2-9,17H;1-4,10-11H;1-4,10H;1-3H,9-10H2;1-3H3;1H3;;/q;;;;;;;2*-1;+1;.

What are the key properties of potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium?

potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium has a molecular weight of 2047.20 g/mol, XLogP of 13.93, 14 rotatable bonds, 20 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-bromo-2-hydroxybenzaldehyde;2-[3-(4-carbamimidoylphenyl)-2-hydroxyphenyl]-3H-benzimidazole-5-carboximidamide;carbanide;(4-cyanophenyl)boronic acid;3,4-diaminobenzonitrile;N'-hydroxy-2-[2-hydroxy-3-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]-3H-benzimidazole-5-carboximidamide;2-hydroxy-3-(4-isocyanophenyl)benzaldehyde;2-[2-hydroxy-3-(4-isocyanophenyl)phenyl]-3H-benzimidazole-5-carbonitrile;2-methylpropan-2-olate;palladium is sourced from PubChem (CID 172981717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).