N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C24H19F3N4O3S — CID 175801914

About N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 175801914) has the molecular formula C24H19F3N4O3S and a molecular weight of 500.50 g/mol. Its IUPAC name is N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 175801914
• Molecular Formula: C24H19F3N4O3S
• Molecular Weight: 500.50 g/mol
• Exact Mass: 500.11
• IUPAC Name: N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
• SMILES: O=C1NC(=O)[C@@](CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)(c2ncsc2C2CC2)N1
• InChI: InChI=1S/C24H19F3N4O3S/c25-24(26,27)15-9-7-13(8-10-15)16-3-1-2-4-17(16)20(32)28-11-23(21(33)30-22(34)31-23)19-18(14-5-6-14)35-12-29-19/h1-4,7-10,12,14H,5-6,11H2,(H,28,32)(H2,30,31,33,34)/t23-/m1/s1
• InChIKey: CNPQEWHTVHBTLJ-HSZRJFAPSA-N
• XLogP: 4.17
• TPSA: 100.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.50
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	3
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 N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 175801914) is N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is O=C1NC(=O)[C@@](CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)(c2ncsc2C2CC2)N1.

What is the InChIKey of N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

The InChIKey is CNPQEWHTVHBTLJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H19F3N4O3S/c25-24(26,27)15-9-7-13(8-10-15)16-3-1-2-4-17(16)20(32)28-11-23(21(33)30-22(34)31-23)19-18(14-5-6-14)35-12-29-19/h1-4,7-10,12,14H,5-6,11H2,(H,28,32)(H2,30,31,33,34)/t23-/m1/s1.

What are the key properties of N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide?

N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 500.50 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(4R)-4-(5-cyclopropyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 175801914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).