1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid

C54H52BBrCl4N6O10S2 — CID 161358024

About 1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid

1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid (PubChem CID 161358024) has the molecular formula C54H52BBrCl4N6O10S2 and a molecular weight of 1241.70 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid.

Molecular Properties

• Compound Name: 1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid
• PubChem CID: 161358024
• Molecular Formula: C54H52BBrCl4N6O10S2
• Molecular Weight: 1241.70 g/mol
• Exact Mass: 1238.12
• IUPAC Name: 1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid
• SMILES: CC(C)(CO)NC(=O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(-c2ccccc2Cl)n1.CC(C)(CO)NC(=O)c1cn(-c2ccc(Br)cc2Cl)c(-c2ccccc2Cl)n1.CS(=O)(=O)c1cccc(B(O)O)c1
• InChI: InChI=1S/C27H25Cl2N3O4S.C20H18BrCl2N3O2.C7H9BO4S/c1-27(2,16-33)31-26(34)23-15-32(25(30-23)20-9-4-5-10-21(20)28)24-12-11-18(14-22(24)29)17-7-6-8-19(13-17)37(3,35)36;1-20(2,11-27)25-19(28)16-10-26(17-8-7-12(21)9-15(17)23)18(24-16)13-5-3-4-6-14(13)22;1-13(11,12)7-4-2-3-6(5-7)8(9)10/h4-15,33H,16H2,1-3H3,(H,31,34);3-10,27H,11H2,1-2H3,(H,25,28);2-5,9-10H,1H3
• InChIKey: VOUKGBZCERUMEW-UHFFFAOYSA-N
• XLogP: 9.30
• TPSA: 243.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1241.70
LogP ≤ 5	9.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid?

The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid (CID 161358024) is 1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid.

What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid?

The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid is CC(C)(CO)NC(=O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(-c2ccccc2Cl)n1.CC(C)(CO)NC(=O)c1cn(-c2ccc(Br)cc2Cl)c(-c2ccccc2Cl)n1.CS(=O)(=O)c1cccc(B(O)O)c1.

What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid?

The InChIKey is VOUKGBZCERUMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N3O4S.C20H18BrCl2N3O2.C7H9BO4S/c1-27(2,16-33)31-26(34)23-15-32(25(30-23)20-9-4-5-10-21(20)28)24-12-11-18(14-22(24)29)17-7-6-8-19(13-17)37(3,35)36;1-20(2,11-27)25-19(28)16-10-26(17-8-7-12(21)9-15(17)23)18(24-16)13-5-3-4-6-14(13)22;1-13(11,12)7-4-2-3-6(5-7)8(9)10/h4-15,33H,16H2,1-3H3,(H,31,34);3-10,27H,11H2,1-2H3,(H,25,28);2-5,9-10H,1H3.

What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid?

1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid has a molecular weight of 1241.70 g/mol, XLogP of 9.30, 14 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromo-2-chlorophenyl)-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)imidazole-4-carboxamide;(3-methylsulfonylphenyl)boronic acid is sourced from PubChem (CID 161358024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).