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

C21H16F3N5O4 — CID 175802027

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

N-[[(4R)-4-(4-methyl-1,2,5-oxadiazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 175802027) has the molecular formula C21H16F3N5O4 and a molecular weight of 459.38 g/mol. Its IUPAC name is N-[[(4R)-4-(4-methyl-1,2,5-oxadiazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[[(4R)-4-(4-methyl-1,2,5-oxadiazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 175802027
• Molecular Formula: C21H16F3N5O4
• Molecular Weight: 459.38 g/mol
• Exact Mass: 459.12
• IUPAC Name: N-[[(4R)-4-(4-methyl-1,2,5-oxadiazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
• SMILES: Cc1nonc1[C@@]1(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
• InChI: InChI=1S/C21H16F3N5O4/c1-11-16(29-33-28-11)20(18(31)26-19(32)27-20)10-25-17(30)15-5-3-2-4-14(15)12-6-8-13(9-7-12)21(22,23)24/h2-9H,10H2,1H3,(H,25,30)(H2,26,27,31,32)/t20-/m1/s1
• InChIKey: NHTIZRWLMQLCHE-HXUWFJFHSA-N
• XLogP: 2.53
• TPSA: 126.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.38
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[[(4R)-4-(4-methyl-1,2,5-oxadiazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 175802027) is N-[[(4R)-4-(4-methyl-1,2,5-oxadiazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

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

The canonical SMILES for N-[[(4R)-4-(4-methyl-1,2,5-oxadiazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is Cc1nonc1[C@@]1(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O.

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

The InChIKey is NHTIZRWLMQLCHE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H16F3N5O4/c1-11-16(29-33-28-11)20(18(31)26-19(32)27-20)10-25-17(30)15-5-3-2-4-14(15)12-6-8-13(9-7-12)21(22,23)24/h2-9H,10H2,1H3,(H,25,30)(H2,26,27,31,32)/t20-/m1/s1.

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

N-[[(4R)-4-(4-methyl-1,2,5-oxadiazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 459.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(4R)-4-(4-methyl-1,2,5-oxadiazol-3-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 175802027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).