7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one

C28H25Cl2N5O4S — CID 18337937

About 7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one

7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one (PubChem CID 18337937) has the molecular formula C28H25Cl2N5O4S and a molecular weight of 598.51 g/mol. Its IUPAC name is 7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one.

Molecular Properties

• Compound Name: 7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one
• PubChem CID: 18337937
• Molecular Formula: C28H25Cl2N5O4S
• Molecular Weight: 598.51 g/mol
• Exact Mass: 597.10
• IUPAC Name: 7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one
• SMILES: CC1(Cc2ccc(-c3cccnc3)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCOCC3)n21
• InChI: InChI=1S/C28H25Cl2N5O4S/c1-28(16-19-4-6-20(7-5-19)21-3-2-8-31-17-21)26(36)34(24-14-22(29)13-23(30)15-24)27-32-18-25(35(27)28)40(37,38)33-9-11-39-12-10-33/h2-8,13-15,17-18H,9-12,16H2,1H3
• InChIKey: QIIGUHSWIOLGFW-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 97.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.51
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one?

The IUPAC name of 7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one (CID 18337937) is 7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one.

What is the SMILES notation for 7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one?

The canonical SMILES for 7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one is CC1(Cc2ccc(-c3cccnc3)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCOCC3)n21.

What is the InChIKey of 7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one?

The InChIKey is QIIGUHSWIOLGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N5O4S/c1-28(16-19-4-6-20(7-5-19)21-3-2-8-31-17-21)26(36)34(24-14-22(29)13-23(30)15-24)27-32-18-25(35(27)28)40(37,38)33-9-11-39-12-10-33/h2-8,13-15,17-18H,9-12,16H2,1H3.

What are the key properties of 7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one?

7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one has a molecular weight of 598.51 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonyl-5-[(4-pyridin-3-ylphenyl)methyl]imidazo[1,2-a]imidazol-6-one is sourced from PubChem (CID 18337937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).