N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide

C25H25F3N8O3 — CID 162348948

About N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide

N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide (PubChem CID 162348948) has the molecular formula C25H25F3N8O3 and a molecular weight of 542.52 g/mol. Its IUPAC name is N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide.

Molecular Properties

• Compound Name: N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide
• PubChem CID: 162348948
• Molecular Formula: C25H25F3N8O3
• Molecular Weight: 542.52 g/mol
• Exact Mass: 542.20
• IUPAC Name: N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide
• SMILES: Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NN(Cc1ccc2nc(N)[nH]c2c1)C(=O)C(F)(F)F
• InChI: InChI=1S/C25H25F3N8O3/c1-15-12-31-21(30-10-9-16-5-3-2-4-6-16)22(38)35(15)14-20(37)34-36(23(39)25(26,27)28)13-17-7-8-18-19(11-17)33-24(29)32-18/h2-8,11-12H,9-10,13-14H2,1H3,(H,30,31)(H,34,37)(H3,29,32,33)
• InChIKey: FPXBJEUNYCOLOD-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 151.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.52
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide?

The IUPAC name of N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide (CID 162348948) is N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide.

What is the SMILES notation for N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide?

The canonical SMILES for N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide is Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NN(Cc1ccc2nc(N)[nH]c2c1)C(=O)C(F)(F)F.

What is the InChIKey of N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide?

The InChIKey is FPXBJEUNYCOLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N8O3/c1-15-12-31-21(30-10-9-16-5-3-2-4-6-16)22(38)35(15)14-20(37)34-36(23(39)25(26,27)28)13-17-7-8-18-19(11-17)33-24(29)32-18/h2-8,11-12H,9-10,13-14H2,1H3,(H,30,31)(H,34,37)(H3,29,32,33).

What are the key properties of N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide?

N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide has a molecular weight of 542.52 g/mol, XLogP of 2.29, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-3H-benzimidazol-5-yl)methyl]-2,2,2-trifluoro-N'-[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]acetohydrazide is sourced from PubChem (CID 162348948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).