1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one

C53H64BBrN8O10 — CID 161398579

About 1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one

1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one (PubChem CID 161398579) has the molecular formula C53H64BBrN8O10 and a molecular weight of 1063.86 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
• PubChem CID: 161398579
• Molecular Formula: C53H64BBrN8O10
• Molecular Weight: 1063.86 g/mol
• Exact Mass: 1062.40
• IUPAC Name: 1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
• SMILES: CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.COc1cccc(C(CO)N2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1.COc1cccc(C(CO)N2CCN(c3ccc(Br)cc3)C2=O)c1
• InChI: InChI=1S/C21H22N4O3.C18H19BrN2O3.C14H23BN2O4/c1-28-19-4-2-3-16(11-19)20(14-26)25-10-9-24(21(25)27)18-7-5-15(6-8-18)17-12-22-23-13-17;1-24-16-4-2-3-13(11-16)17(12-22)21-10-9-20(18(21)23)15-7-5-14(19)6-8-15;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h2-8,11-13,20,26H,9-10,14H2,1H3,(H,22,23);2-8,11,17,22H,9-10,12H2,1H3;8-9H,1-7H3
• InChIKey: VTXVMLATDNDILE-UHFFFAOYSA-N
• XLogP: 8.46
• TPSA: 197.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1063.86
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?

The IUPAC name of 1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one (CID 161398579) is 1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one.

What is the SMILES notation for 1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?

The canonical SMILES for 1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one is CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.COc1cccc(C(CO)N2CCN(c3ccc(-c4cn[nH]c4)cc3)C2=O)c1.COc1cccc(C(CO)N2CCN(c3ccc(Br)cc3)C2=O)c1.

What is the InChIKey of 1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?

The InChIKey is VTXVMLATDNDILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3.C18H19BrN2O3.C14H23BN2O4/c1-28-19-4-2-3-16(11-19)20(14-26)25-10-9-24(21(25)27)18-7-5-15(6-8-18)17-12-22-23-13-17;1-24-16-4-2-3-13(11-16)17(12-22)21-10-9-20(18(21)23)15-7-5-14(19)6-8-15;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h2-8,11-13,20,26H,9-10,14H2,1H3,(H,22,23);2-8,11,17,22H,9-10,12H2,1H3;8-9H,1-7H3.

What are the key properties of 1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?

1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one has a molecular weight of 1063.86 g/mol, XLogP of 8.46, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromophenyl)-3-[2-hydroxy-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;1-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 161398579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).