2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

C22H18F2N4O3S — CID 55614105

About 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 55614105) has the molecular formula C22H18F2N4O3S and a molecular weight of 456.47 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 55614105
• Molecular Formula: C22H18F2N4O3S
• Molecular Weight: 456.47 g/mol
• Exact Mass: 456.11
• IUPAC Name: 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ncc(Cc3cccc(F)c3)s2)C1=O
• InChI: InChI=1S/C22H18F2N4O3S/c1-22(14-5-7-15(23)8-6-14)19(30)28(21(31)27-22)12-18(29)26-20-25-11-17(32-20)10-13-3-2-4-16(24)9-13/h2-9,11H,10,12H2,1H3,(H,27,31)(H,25,26,29)
• InChIKey: ZJQVOLJQKQBFSL-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.47
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 55614105) is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ncc(Cc3cccc(F)c3)s2)C1=O.

What is the InChIKey of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is ZJQVOLJQKQBFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3S/c1-22(14-5-7-15(23)8-6-14)19(30)28(21(31)27-22)12-18(29)26-20-25-11-17(32-20)10-13-3-2-4-16(24)9-13/h2-9,11H,10,12H2,1H3,(H,27,31)(H,25,26,29).

What are the key properties of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 456.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55614105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).