1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C64H64BBrN8O10S2 — CID 159875914

About 1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 159875914) has the molecular formula C64H64BBrN8O10S2 and a molecular weight of 1260.11 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 159875914
• Molecular Formula: C64H64BBrN8O10S2
• Molecular Weight: 1260.11 g/mol
• Exact Mass: 1258.35
• IUPAC Name: 1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2ccoc2)OC1(C)C.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2ccoc2)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(Br)cc1
• InChI: InChI=1S/C29H26N4O4S.C25H23BrN4O3S.C10H15BO3/c1-21-7-5-6-10-27(21)38(35,36)32-29(34)31-26(19-22-8-3-2-4-9-22)28-30-16-17-33(28)25-13-11-23(12-14-25)24-15-18-37-20-24;1-18-7-5-6-10-23(18)34(32,33)29-25(31)28-22(17-19-8-3-2-4-9-19)24-27-15-16-30(24)21-13-11-20(26)12-14-21;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8/h2-18,20,26H,19H2,1H3,(H2,31,32,34);2-16,22H,17H2,1H3,(H2,28,29,31);5-7H,1-4H3/t26-;22-;/m00./s1
• InChIKey: NSXCQOGVJBEWKX-OLDKHKQTSA-N
• XLogP: 11.91
• TPSA: 230.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1260.11
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	4
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-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 159875914) is 1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccoc2)OC1(C)C.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(-c2ccoc2)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(Br)cc1.

What is the InChIKey of 1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is NSXCQOGVJBEWKX-OLDKHKQTSA-N. The full InChI is InChI=1S/C29H26N4O4S.C25H23BrN4O3S.C10H15BO3/c1-21-7-5-6-10-27(21)38(35,36)32-29(34)31-26(19-22-8-3-2-4-9-22)28-30-16-17-33(28)25-13-11-23(12-14-25)24-15-18-37-20-24;1-18-7-5-6-10-23(18)34(32,33)29-25(31)28-22(17-19-8-3-2-4-9-19)24-27-15-16-30(24)21-13-11-20(26)12-14-21;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8/h2-18,20,26H,19H2,1H3,(H2,31,32,34);2-16,22H,17H2,1H3,(H2,28,29,31);5-7H,1-4H3/t26-;22-;/m00./s1.

What are the key properties of 1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1260.11 g/mol, XLogP of 11.91, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159875914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).