(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide

C25H26BrCl2N5O4S — CID 59923774

About (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide

(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide (PubChem CID 59923774) has the molecular formula C25H26BrCl2N5O4S and a molecular weight of 643.39 g/mol. Its IUPAC name is (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide.

Molecular Properties

• Compound Name: (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide
• PubChem CID: 59923774
• Molecular Formula: C25H26BrCl2N5O4S
• Molecular Weight: 643.39 g/mol
• Exact Mass: 641.03
• IUPAC Name: (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide
• SMILES: C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)NCCN3CCOCC3)n21
• InChI: InChI=1S/C25H26BrCl2N5O4S/c1-25(15-17-2-4-18(26)5-3-17)23(34)32(21-13-19(27)12-20(28)14-21)24-29-16-22(33(24)25)38(35,36)30-6-7-31-8-10-37-11-9-31/h2-5,12-14,16,30H,6-11,15H2,1H3/t25-/m1/s1
• InChIKey: RHIFUDNEEKOWEM-RUZDIDTESA-N
• XLogP: 4.20
• TPSA: 96.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	643.39
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide?

The IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide (CID 59923774) is (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide.

What is the SMILES notation for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide?

The canonical SMILES for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide is C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)NCCN3CCOCC3)n21.

What is the InChIKey of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide?

The InChIKey is RHIFUDNEEKOWEM-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26BrCl2N5O4S/c1-25(15-17-2-4-18(26)5-3-17)23(34)32(21-13-19(27)12-20(28)14-21)24-29-16-22(33(24)25)38(35,36)30-6-7-31-8-10-37-11-9-31/h2-5,12-14,16,30H,6-11,15H2,1H3/t25-/m1/s1.

What are the key properties of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide?

(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide has a molecular weight of 643.39 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-6-oxoimidazo[1,2-a]imidazole-3-sulfonamide is sourced from PubChem (CID 59923774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).