N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C25H21N5O2 — CID 55965551

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 55965551) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

• Compound Name: N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
• PubChem CID: 55965551
• Molecular Formula: C25H21N5O2
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.17
• IUPAC Name: N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
• SMILES: O=C(CCCc1ncc(-c2ccccc2)o1)Nc1ccc(-n2cnc3ccccc32)nc1
• InChI: InChI=1S/C25H21N5O2/c31-24(11-6-12-25-27-16-22(32-25)18-7-2-1-3-8-18)29-19-13-14-23(26-15-19)30-17-28-20-9-4-5-10-21(20)30/h1-5,7-10,13-17H,6,11-12H2,(H,29,31)
• InChIKey: ILKTZBXXPSLTRT-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?

The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 55965551) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?

The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is O=C(CCCc1ncc(-c2ccccc2)o1)Nc1ccc(-n2cnc3ccccc32)nc1.

What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?

The InChIKey is ILKTZBXXPSLTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c31-24(11-6-12-25-27-16-22(32-25)18-7-2-1-3-8-18)29-19-13-14-23(26-15-19)30-17-28-20-9-4-5-10-21(20)30/h1-5,7-10,13-17H,6,11-12H2,(H,29,31).

What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 423.48 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 55965551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).