N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

C26H21FN4O2 — CID 52661403

About N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 52661403) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
• PubChem CID: 52661403
• Molecular Formula: C26H21FN4O2
• Molecular Weight: 440.48 g/mol
• Exact Mass: 440.16
• IUPAC Name: N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
• SMILES: Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1
• InChI: InChI=1S/C26H21FN4O2/c1-16-22(31-26(33-16)17-7-3-2-4-8-17)15-25(32)28-19-11-12-21-23(14-19)30-24(29-21)13-18-9-5-6-10-20(18)27/h2-12,14H,13,15H2,1H3,(H,28,32)(H,29,30)
• InChIKey: OTRVMZAAAITKKT-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 83.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.48
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?

The IUPAC name of N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 52661403) is N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

What is the SMILES notation for N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?

The canonical SMILES for N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1.

What is the InChIKey of N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?

The InChIKey is OTRVMZAAAITKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2/c1-16-22(31-26(33-16)17-7-3-2-4-8-17)15-25(32)28-19-11-12-21-23(14-19)30-24(29-21)13-18-9-5-6-10-20(18)27/h2-12,14H,13,15H2,1H3,(H,28,32)(H,29,30).

What are the key properties of N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?

N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 440.48 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 52661403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).