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

C52H64BBrN8O8 — CID 162206420

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

1-benzyl-3-(4-bromophenyl)-4-(hydroxymethyl)imidazolidin-2-one;1-benzyl-4-(hydroxymethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;methane (PubChem CID 162206420) has the molecular formula C52H64BBrN8O8 and a molecular weight of 1019.85 g/mol. Its IUPAC name is 1-benzyl-3-(4-bromophenyl)-4-(hydroxymethyl)imidazolidin-2-one;1-benzyl-4-(hydroxymethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;methane.

Molecular Properties

• Compound Name: 1-benzyl-3-(4-bromophenyl)-4-(hydroxymethyl)imidazolidin-2-one;1-benzyl-4-(hydroxymethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;methane
• PubChem CID: 162206420
• Molecular Formula: C52H64BBrN8O8
• Molecular Weight: 1019.85 g/mol
• Exact Mass: 1018.41
• IUPAC Name: 1-benzyl-3-(4-bromophenyl)-4-(hydroxymethyl)imidazolidin-2-one;1-benzyl-4-(hydroxymethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;methane
• SMILES: C.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=C1N(Cc2ccccc2)CC(CO)N1c1ccc(-c2cn[nH]c2)cc1.O=C1N(Cc2ccccc2)CC(CO)N1c1ccc(Br)cc1
• InChI: InChI=1S/C20H20N4O2.C17H17BrN2O2.C14H23BN2O4.CH4/c25-14-19-13-23(12-15-4-2-1-3-5-15)20(26)24(19)18-8-6-16(7-9-18)17-10-21-22-11-17;18-14-6-8-15(9-7-14)20-16(12-21)11-19(17(20)22)10-13-4-2-1-3-5-13;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15;/h1-11,19,25H,12-14H2,(H,21,22);1-9,16,21H,10-12H2;8-9H,1-7H3;1H4
• InChIKey: ZSGDRJAEKPDINA-UHFFFAOYSA-N
• XLogP: 8.73
• TPSA: 178.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1019.85
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-benzyl-3-(4-bromophenyl)-4-(hydroxymethyl)imidazolidin-2-one;1-benzyl-4-(hydroxymethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;methane (CID 162206420) is 1-benzyl-3-(4-bromophenyl)-4-(hydroxymethyl)imidazolidin-2-one;1-benzyl-4-(hydroxymethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;methane.

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

The canonical SMILES for 1-benzyl-3-(4-bromophenyl)-4-(hydroxymethyl)imidazolidin-2-one;1-benzyl-4-(hydroxymethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;methane is C.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.O=C1N(Cc2ccccc2)CC(CO)N1c1ccc(-c2cn[nH]c2)cc1.O=C1N(Cc2ccccc2)CC(CO)N1c1ccc(Br)cc1.

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

The InChIKey is ZSGDRJAEKPDINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.C17H17BrN2O2.C14H23BN2O4.CH4/c25-14-19-13-23(12-15-4-2-1-3-5-15)20(26)24(19)18-8-6-16(7-9-18)17-10-21-22-11-17;18-14-6-8-15(9-7-14)20-16(12-21)11-19(17(20)22)10-13-4-2-1-3-5-13;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15;/h1-11,19,25H,12-14H2,(H,21,22);1-9,16,21H,10-12H2;8-9H,1-7H3;1H4.

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

1-benzyl-3-(4-bromophenyl)-4-(hydroxymethyl)imidazolidin-2-one;1-benzyl-4-(hydroxymethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;methane has a molecular weight of 1019.85 g/mol, XLogP of 8.73, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-3-(4-bromophenyl)-4-(hydroxymethyl)imidazolidin-2-one;1-benzyl-4-(hydroxymethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;methane is sourced from PubChem (CID 162206420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).