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

C27H24BrCl2N5O5S3 — CID 59923630

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

(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one (PubChem CID 59923630) has the molecular formula C27H24BrCl2N5O5S3 and a molecular weight of 745.53 g/mol. Its IUPAC name is (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(4-thiophen-2-ylsulfonylpiperazin-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-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one
• PubChem CID: 59923630
• Molecular Formula: C27H24BrCl2N5O5S3
• Molecular Weight: 745.53 g/mol
• Exact Mass: 742.95
• IUPAC Name: (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(4-thiophen-2-ylsulfonylpiperazin-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)N3CCN(S(=O)(=O)c4cccs4)CC3)n21
• InChI: InChI=1S/C27H24BrCl2N5O5S3/c1-27(16-18-4-6-19(28)7-5-18)25(36)34(22-14-20(29)13-21(30)15-22)26-31-17-23(35(26)27)42(37,38)32-8-10-33(11-9-32)43(39,40)24-3-2-12-41-24/h2-7,12-15,17H,8-11,16H2,1H3/t27-/m1/s1
• InChIKey: RHJBBCIQZZEMAA-HHHXNRCGSA-N
• XLogP: 5.35
• TPSA: 112.89 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.53
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(4-thiophen-2-ylsulfonylpiperazin-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-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one (CID 59923630) is (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(4-thiophen-2-ylsulfonylpiperazin-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-(4-thiophen-2-ylsulfonylpiperazin-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-(4-thiophen-2-ylsulfonylpiperazin-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)N3CCN(S(=O)(=O)c4cccs4)CC3)n21.

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

The InChIKey is RHJBBCIQZZEMAA-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H24BrCl2N5O5S3/c1-27(16-18-4-6-19(28)7-5-18)25(36)34(22-14-20(29)13-21(30)15-22)26-31-17-23(35(26)27)42(37,38)32-8-10-33(11-9-32)43(39,40)24-3-2-12-41-24/h2-7,12-15,17H,8-11,16H2,1H3/t27-/m1/s1.

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

(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one has a molecular weight of 745.53 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one is sourced from PubChem (CID 59923630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).