(2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide

C24H22BrCl2N5O4S — CID 59923616

About (2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide

(2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 59923616) has the molecular formula C24H22BrCl2N5O4S and a molecular weight of 627.35 g/mol. Its IUPAC name is (2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide
• PubChem CID: 59923616
• Molecular Formula: C24H22BrCl2N5O4S
• Molecular Weight: 627.35 g/mol
• Exact Mass: 625.00
• IUPAC Name: (2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide
• SMILES: C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCC[C@H]3C(N)=O)n21
• InChI: InChI=1S/C24H22BrCl2N5O4S/c1-24(12-14-4-6-15(25)7-5-14)22(34)31(18-10-16(26)9-17(27)11-18)23-29-13-20(32(23)24)37(35,36)30-8-2-3-19(30)21(28)33/h4-7,9-11,13,19H,2-3,8,12H2,1H3,(H2,28,33)/t19-,24+/m0/s1
• InChIKey: PATAZALLOGFTLJ-YADARESESA-N
• XLogP: 4.23
• TPSA: 118.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	627.35
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide (CID 59923616) is (2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide?

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

What is the InChIKey of (2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide?

The InChIKey is PATAZALLOGFTLJ-YADARESESA-N. The full InChI is InChI=1S/C24H22BrCl2N5O4S/c1-24(12-14-4-6-15(25)7-5-14)22(34)31(18-10-16(26)9-17(27)11-18)23-29-13-20(32(23)24)37(35,36)30-8-2-3-19(30)21(28)33/h4-7,9-11,13,19H,2-3,8,12H2,1H3,(H2,28,33)/t19-,24+/m0/s1.

What are the key properties of (2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide?

(2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 627.35 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59923616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).