N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C24H17N7O2S — CID 167962918

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 167962918) has the molecular formula C24H17N7O2S and a molecular weight of 467.51 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 167962918
• Molecular Formula: C24H17N7O2S
• Molecular Weight: 467.51 g/mol
• Exact Mass: 467.12
• IUPAC Name: N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1
• InChI: InChI=1S/C24H17N7O2S/c32-21(27-20-12-19(28-29-20)22-25-17-7-3-4-8-18(17)26-22)13-34-24-31-30-23(33-24)16-10-9-14-5-1-2-6-15(14)11-16/h1-12H,13H2,(H,25,26)(H2,27,28,29,32)
• InChIKey: LTTIPCWFAMEGAJ-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 125.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.51
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 167962918) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1.

What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is LTTIPCWFAMEGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7O2S/c32-21(27-20-12-19(28-29-20)22-25-17-7-3-4-8-18(17)26-22)13-34-24-31-30-23(33-24)16-10-9-14-5-1-2-6-15(14)11-16/h1-12H,13H2,(H,25,26)(H2,27,28,29,32).

What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 467.51 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 167962918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).