[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone

C25H24N8O2S — CID 129245349

About [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 129245349) has the molecular formula C25H24N8O2S and a molecular weight of 500.59 g/mol. Its IUPAC name is [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

• Compound Name: [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
• PubChem CID: 129245349
• Molecular Formula: C25H24N8O2S
• Molecular Weight: 500.59 g/mol
• Exact Mass: 500.17
• IUPAC Name: [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
• SMILES: Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)c6cccs6)CC5)ccn4)[nH]c3c2)n1
• InChI: InChI=1S/C25H24N8O2S/c1-16-27-23(35-31-16)18-4-5-19-20(14-18)29-25(28-19)30-22-13-17(6-7-26-22)15-32-8-10-33(11-9-32)24(34)21-3-2-12-36-21/h2-7,12-14H,8-11,15H2,1H3,(H2,26,28,29,30)
• InChIKey: AWMXFOOCKQAXPG-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 116.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.59
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?

The IUPAC name of [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 129245349) is [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.

What is the SMILES notation for [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?

The canonical SMILES for [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)c6cccs6)CC5)ccn4)[nH]c3c2)n1.

What is the InChIKey of [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?

The InChIKey is AWMXFOOCKQAXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2S/c1-16-27-23(35-31-16)18-4-5-19-20(14-18)29-25(28-19)30-22-13-17(6-7-26-22)15-32-8-10-33(11-9-32)24(34)21-3-2-12-36-21/h2-7,12-14H,8-11,15H2,1H3,(H2,26,28,29,30).

What are the key properties of [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?

[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 500.59 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 129245349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).