(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide

C41H33Br2Cl4IN8O5S — CID 158694233

About (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide

(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide (PubChem CID 158694233) has the molecular formula C41H33Br2Cl4IN8O5S and a molecular weight of 1178.36 g/mol. Its IUPAC name is (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide.

Molecular Properties

• Compound Name: (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide
• PubChem CID: 158694233
• Molecular Formula: C41H33Br2Cl4IN8O5S
• Molecular Weight: 1178.36 g/mol
• Exact Mass: 1173.85
• IUPAC Name: (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide
• SMILES: C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(I)n21.C[C@H](NS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(N)=O
• InChI: InChI=1S/C22H20BrCl2N5O4S.C19H13BrCl2IN3O/c1-12(19(26)31)28-35(33,34)18-11-27-21-29(17-8-15(24)7-16(25)9-17)20(32)22(2,30(18)21)10-13-3-5-14(23)6-4-13;1-19(9-11-2-4-12(20)5-3-11)17(27)25(18-24-10-16(23)26(18)19)15-7-13(21)6-14(22)8-15/h3-9,11-12,28H,10H2,1-2H3,(H2,26,31);2-8,10H,9H2,1H3/t12-,22+;19-/m01/s1
• InChIKey: IGSSPBHZOYUCNA-XMWTUNLESA-N
• XLogP: 9.93
• TPSA: 165.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1178.36
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide?

The IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide (CID 158694233) is (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide.

What is the SMILES notation for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide?

The canonical SMILES for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide is C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(I)n21.C[C@H](NS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(N)=O.

What is the InChIKey of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide?

The InChIKey is IGSSPBHZOYUCNA-XMWTUNLESA-N. The full InChI is InChI=1S/C22H20BrCl2N5O4S.C19H13BrCl2IN3O/c1-12(19(26)31)28-35(33,34)18-11-27-21-29(17-8-15(24)7-16(25)9-17)20(32)22(2,30(18)21)10-13-3-5-14(23)6-4-13;1-19(9-11-2-4-12(20)5-3-11)17(27)25(18-24-10-16(23)26(18)19)15-7-13(21)6-14(22)8-15/h3-9,11-12,28H,10H2,1-2H3,(H2,26,31);2-8,10H,9H2,1H3/t12-,22+;19-/m01/s1.

What are the key properties of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide?

(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide has a molecular weight of 1178.36 g/mol, XLogP of 9.93, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one;(2S)-2-[[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylamino]propanamide is sourced from PubChem (CID 158694233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).