N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C23H15F3N4O2 — CID 43040516

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 43040516) has the molecular formula C23H15F3N4O2 and a molecular weight of 436.39 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
• PubChem CID: 43040516
• Molecular Formula: C23H15F3N4O2
• Molecular Weight: 436.39 g/mol
• Exact Mass: 436.11
• IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
• SMILES: O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(-c2nc3ccccc3o2)cc1
• InChI: InChI=1S/C23H15F3N4O2/c24-23(25,26)22-29-16-5-1-3-7-18(16)30(22)13-20(31)27-15-11-9-14(10-12-15)21-28-17-6-2-4-8-19(17)32-21/h1-12H,13H2,(H,27,31)
• InChIKey: MWYSWBWIEHZVFI-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.39
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?

The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 43040516) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?

The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(-c2nc3ccccc3o2)cc1.

What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?

The InChIKey is MWYSWBWIEHZVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O2/c24-23(25,26)22-29-16-5-1-3-7-18(16)30(22)13-20(31)27-15-11-9-14(10-12-15)21-28-17-6-2-4-8-19(17)32-21/h1-12H,13H2,(H,27,31).

What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 436.39 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 43040516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).