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

C27H26N8O2 — CID 137479130

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

[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-phenylmethanone (PubChem CID 137479130) has the molecular formula C27H26N8O2 and a molecular weight of 494.56 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]-phenylmethanone.

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]-phenylmethanone
• PubChem CID: 137479130
• Molecular Formula: C27H26N8O2
• Molecular Weight: 494.56 g/mol
• Exact Mass: 494.22
• IUPAC Name: [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-phenylmethanone
• SMILES: Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)c6ccccc6)CC5)ccn4)[nH]c3c2)n1
• InChI: InChI=1S/C27H26N8O2/c1-18-29-25(37-33-18)21-7-8-22-23(16-21)31-27(30-22)32-24-15-19(9-10-28-24)17-34-11-13-35(14-12-34)26(36)20-5-3-2-4-6-20/h2-10,15-16H,11-14,17H2,1H3,(H2,28,30,31,32)
• InChIKey: ZIRLHXKNYFFNLM-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 116.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.56
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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]-phenylmethanone?

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]-phenylmethanone (CID 137479130) is [4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-phenylmethanone.

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]-phenylmethanone?

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]-phenylmethanone is Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)c6ccccc6)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]-phenylmethanone?

The InChIKey is ZIRLHXKNYFFNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O2/c1-18-29-25(37-33-18)21-7-8-22-23(16-21)31-27(30-22)32-24-15-19(9-10-28-24)17-34-11-13-35(14-12-34)26(36)20-5-3-2-4-6-20/h2-10,15-16H,11-14,17H2,1H3,(H2,28,30,31,32).

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]-phenylmethanone?

[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 494.56 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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]-phenylmethanone is sourced from PubChem (CID 137479130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).