6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine

C21H24N8O — CID 129246043

About 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine

6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 129246043) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

• Compound Name: 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine
• PubChem CID: 129246043
• Molecular Formula: C21H24N8O
• Molecular Weight: 404.48 g/mol
• Exact Mass: 404.21
• IUPAC Name: 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine
• SMILES: Cc1noc(-c2ccc3nc(Nc4cc(CN5CCNC[C@H]5C)ccn4)[nH]c3c2)n1
• InChI: InChI=1S/C21H24N8O/c1-13-11-22-7-8-29(13)12-15-5-6-23-19(9-15)27-21-25-17-4-3-16(10-18(17)26-21)20-24-14(2)28-30-20/h3-6,9-10,13,22H,7-8,11-12H2,1-2H3,(H2,23,25,26,27)/t13-/m1/s1
• InChIKey: BAJMURNIZFHANZ-CYBMUJFWSA-N
• XLogP: 2.85
• TPSA: 107.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.48
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine?

The IUPAC name of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine (CID 129246043) is 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine.

What is the SMILES notation for 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine?

The canonical SMILES for 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine is Cc1noc(-c2ccc3nc(Nc4cc(CN5CCNC[C@H]5C)ccn4)[nH]c3c2)n1.

What is the InChIKey of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine?

The InChIKey is BAJMURNIZFHANZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24N8O/c1-13-11-22-7-8-29(13)12-15-5-6-23-19(9-15)27-21-25-17-4-3-16(10-18(17)26-21)20-24-14(2)28-30-20/h3-6,9-10,13,22H,7-8,11-12H2,1-2H3,(H2,23,25,26,27)/t13-/m1/s1.

What are the key properties of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine?

6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 404.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 129246043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).