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

C23H18N4O2S — CID 46514576

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

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 46514576) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
• PubChem CID: 46514576
• Molecular Formula: C23H18N4O2S
• Molecular Weight: 414.49 g/mol
• Exact Mass: 414.12
• IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
• SMILES: Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
• InChI: InChI=1S/C23H18N4O2S/c1-14-19(27-23(29-14)20-7-4-12-30-20)13-21(28)24-16-10-8-15(9-11-16)22-25-17-5-2-3-6-18(17)26-22/h2-12H,13H2,1H3,(H,24,28)(H,25,26)
• InChIKey: DFUDKAQAKDTVQM-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 83.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.49
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 46514576) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

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

The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.

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

The InChIKey is DFUDKAQAKDTVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c1-14-19(27-23(29-14)20-7-4-12-30-20)13-21(28)24-16-10-8-15(9-11-16)22-25-17-5-2-3-6-18(17)26-22/h2-12H,13H2,1H3,(H,24,28)(H,25,26).

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

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 414.49 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 46514576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).