[4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite

C23H20BrIN2O2 — CID 163790890

About [4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite

[4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite (PubChem CID 163790890) has the molecular formula C23H20BrIN2O2 and a molecular weight of 563.23 g/mol. Its IUPAC name is [4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite.

Molecular Properties

• Compound Name: [4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite
• PubChem CID: 163790890
• Molecular Formula: C23H20BrIN2O2
• Molecular Weight: 563.23 g/mol
• Exact Mass: 561.98
• IUPAC Name: [4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite
• SMILES: COc1ccc(C2N=C(c3ccc(OI)cc3)C(C)N2c2ccc(Br)cc2)cc1
• InChI: InChI=1S/C23H20BrIN2O2/c1-15-22(16-3-13-21(29-25)14-4-16)26-23(17-5-11-20(28-2)12-6-17)27(15)19-9-7-18(24)8-10-19/h3-15,23H,1-2H3
• InChIKey: MWPXDOPFWYKYPV-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 34.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.23
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite?

The IUPAC name of [4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite (CID 163790890) is [4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite.

What is the SMILES notation for [4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite?

The canonical SMILES for [4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite is COc1ccc(C2N=C(c3ccc(OI)cc3)C(C)N2c2ccc(Br)cc2)cc1.

What is the InChIKey of [4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite?

The InChIKey is MWPXDOPFWYKYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrIN2O2/c1-15-22(16-3-13-21(29-25)14-4-16)26-23(17-5-11-20(28-2)12-6-17)27(15)19-9-7-18(24)8-10-19/h3-15,23H,1-2H3.

What are the key properties of [4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite?

[4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite has a molecular weight of 563.23 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-2,4-dihydroimidazol-5-yl]phenyl] hypoiodite is sourced from PubChem (CID 163790890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).