(5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one

C20H16BrClIN3O — CID 59881484

About (5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one

(5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one (PubChem CID 59881484) has the molecular formula C20H16BrClIN3O and a molecular weight of 556.63 g/mol. Its IUPAC name is (5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one.

Molecular Properties

• Compound Name: (5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one
• PubChem CID: 59881484
• Molecular Formula: C20H16BrClIN3O
• Molecular Weight: 556.63 g/mol
• Exact Mass: 554.92
• IUPAC Name: (5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one
• SMILES: Cc1cc(Cl)cc(N2C(=O)[C@@](C)(Cc3ccc(Br)cc3)n3c(I)cnc32)c1
• InChI: InChI=1S/C20H16BrClIN3O/c1-12-7-15(22)9-16(8-12)25-18(27)20(2,26-17(23)11-24-19(25)26)10-13-3-5-14(21)6-4-13/h3-9,11H,10H2,1-2H3/t20-/m1/s1
• InChIKey: HLHHAPAHIKYAII-HXUWFJFHSA-N
• XLogP: 5.85
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.63
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one?

The IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one (CID 59881484) is (5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one.

What is the SMILES notation for (5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one?

The canonical SMILES for (5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one is Cc1cc(Cl)cc(N2C(=O)[C@@](C)(Cc3ccc(Br)cc3)n3c(I)cnc32)c1.

What is the InChIKey of (5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one?

The InChIKey is HLHHAPAHIKYAII-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H16BrClIN3O/c1-12-7-15(22)9-16(8-12)25-18(27)20(2,26-17(23)11-24-19(25)26)10-13-3-5-14(21)6-4-13/h3-9,11H,10H2,1-2H3/t20-/m1/s1.

What are the key properties of (5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one?

(5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one has a molecular weight of 556.63 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one is sourced from PubChem (CID 59881484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).