1-(4-bromophenyl)-3-[2-(2-methoxyphenyl)ethyl]imidazol-2-one;1-[2-(2-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C48H52BBrN8O6 — CID 157319758

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

1-(4-bromophenyl)-3-[2-(2-methoxyphenyl)ethyl]imidazol-2-one;1-[2-(2-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 157319758) has the molecular formula C48H52BBrN8O6 and a molecular weight of 927.71 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[2-(2-methoxyphenyl)ethyl]imidazol-2-one;1-[2-(2-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 1-(4-bromophenyl)-3-[2-(2-methoxyphenyl)ethyl]imidazol-2-one;1-[2-(2-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 157319758
• Molecular Formula: C48H52BBrN8O6
• Molecular Weight: 927.71 g/mol
• Exact Mass: 926.33
• IUPAC Name: 1-(4-bromophenyl)-3-[2-(2-methoxyphenyl)ethyl]imidazol-2-one;1-[2-(2-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: CC1(C)OB(c2cn[nH]c2)OC1(C)C.COc1ccccc1CCn1ccn(-c2ccc(-c3cn[nH]c3)cc2)c1=O.COc1ccccc1CCn1ccn(-c2ccc(Br)cc2)c1=O
• InChI: InChI=1S/C21H20N4O2.C18H17BrN2O2.C9H15BN2O2/c1-27-20-5-3-2-4-17(20)10-11-24-12-13-25(21(24)26)19-8-6-16(7-9-19)18-14-22-23-15-18;1-23-17-5-3-2-4-14(17)10-11-20-12-13-21(18(20)22)16-8-6-15(19)7-9-16;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h2-9,12-15H,10-11H2,1H3,(H,22,23);2-9,12-13H,10-11H2,1H3;5-6H,1-4H3,(H,11,12)
• InChIKey: BEAFFKPCWOOKBR-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 148.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	927.71
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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-(2-methoxyphenyl)ethyl]imidazol-2-one;1-[2-(2-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of 1-(4-bromophenyl)-3-[2-(2-methoxyphenyl)ethyl]imidazol-2-one;1-[2-(2-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 157319758) is 1-(4-bromophenyl)-3-[2-(2-methoxyphenyl)ethyl]imidazol-2-one;1-[2-(2-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

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

The canonical SMILES for 1-(4-bromophenyl)-3-[2-(2-methoxyphenyl)ethyl]imidazol-2-one;1-[2-(2-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CC1(C)OB(c2cn[nH]c2)OC1(C)C.COc1ccccc1CCn1ccn(-c2ccc(-c3cn[nH]c3)cc2)c1=O.COc1ccccc1CCn1ccn(-c2ccc(Br)cc2)c1=O.

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

The InChIKey is BEAFFKPCWOOKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2.C18H17BrN2O2.C9H15BN2O2/c1-27-20-5-3-2-4-17(20)10-11-24-12-13-25(21(24)26)19-8-6-16(7-9-19)18-14-22-23-15-18;1-23-17-5-3-2-4-14(17)10-11-20-12-13-21(18(20)22)16-8-6-15(19)7-9-16;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h2-9,12-15H,10-11H2,1H3,(H,22,23);2-9,12-13H,10-11H2,1H3;5-6H,1-4H3,(H,11,12).

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

1-(4-bromophenyl)-3-[2-(2-methoxyphenyl)ethyl]imidazol-2-one;1-[2-(2-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 927.71 g/mol, XLogP of 7.64, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromophenyl)-3-[2-(2-methoxyphenyl)ethyl]imidazol-2-one;1-[2-(2-methoxyphenyl)ethyl]-3-[4-(1H-pyrazol-4-yl)phenyl]imidazol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 157319758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).