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

C22H23F3N8O — CID 155512885

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

6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 155512885) has the molecular formula C22H23F3N8O and a molecular weight of 472.48 g/mol. Its IUPAC name is 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

• Compound Name: 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine
• PubChem CID: 155512885
• Molecular Formula: C22H23F3N8O
• Molecular Weight: 472.48 g/mol
• Exact Mass: 472.19
• IUPAC Name: 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine
• SMILES: Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(CC(F)(F)F)CC5)ccn4)[nH]c3c2)n1
• InChI: InChI=1S/C22H23F3N8O/c1-14-27-20(34-31-14)16-2-3-17-18(11-16)29-21(28-17)30-19-10-15(4-5-26-19)12-32-6-8-33(9-7-32)13-22(23,24)25/h2-5,10-11H,6-9,12-13H2,1H3,(H2,26,28,29,30)
• InChIKey: FZKOOFUVRBCBBS-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 99.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.48
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
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-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine?

The IUPAC name of 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine (CID 155512885) is 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[4-(2,2,2-trifluoroethyl)piperazin-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-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine?

The canonical SMILES for 6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine is Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(CC(F)(F)F)CC5)ccn4)[nH]c3c2)n1.

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

The InChIKey is FZKOOFUVRBCBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N8O/c1-14-27-20(34-31-14)16-2-3-17-18(11-16)29-21(28-17)30-19-10-15(4-5-26-19)12-32-6-8-33(9-7-32)13-22(23,24)25/h2-5,10-11H,6-9,12-13H2,1H3,(H2,26,28,29,30).

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

6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 472.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 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-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 155512885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).