(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one

C23H19BrCl2N4O4S — CID 59923822

About (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one

(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one (PubChem CID 59923822) has the molecular formula C23H19BrCl2N4O4S and a molecular weight of 598.31 g/mol. Its IUPAC name is (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one.

Molecular Properties

• Compound Name: (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one
• PubChem CID: 59923822
• Molecular Formula: C23H19BrCl2N4O4S
• Molecular Weight: 598.31 g/mol
• Exact Mass: 595.97
• IUPAC Name: (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one
• SMILES: C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC(=O)C3)n21
• InChI: InChI=1S/C23H19BrCl2N4O4S/c1-23(11-14-2-4-15(24)5-3-14)21(32)29(18-9-16(25)8-17(26)10-18)22-27-12-20(30(22)23)35(33,34)28-7-6-19(31)13-28/h2-5,8-10,12H,6-7,11,13H2,1H3/t23-/m1/s1
• InChIKey: ULQVDWULFQQDKI-HSZRJFAPSA-N
• XLogP: 4.55
• TPSA: 92.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.31
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one?

The IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one (CID 59923822) is (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one.

What is the SMILES notation for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one?

The canonical SMILES for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one is C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC(=O)C3)n21.

What is the InChIKey of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one?

The InChIKey is ULQVDWULFQQDKI-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H19BrCl2N4O4S/c1-23(11-14-2-4-15(24)5-3-14)21(32)29(18-9-16(25)8-17(26)10-18)22-27-12-20(30(22)23)35(33,34)28-7-6-19(31)13-28/h2-5,8-10,12H,6-7,11,13H2,1H3/t23-/m1/s1.

What are the key properties of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one?

(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one has a molecular weight of 598.31 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one is sourced from PubChem (CID 59923822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).