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

C25H26F2N8O2 — CID 137490182

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

(2,2-difluorocyclopropyl)-[4-[1-[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone (PubChem CID 137490182) has the molecular formula C25H26F2N8O2 and a molecular weight of 508.53 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-[4-[1-[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,2-difluorocyclopropyl)-[4-[1-[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone
• PubChem CID: 137490182
• Molecular Formula: C25H26F2N8O2
• Molecular Weight: 508.53 g/mol
• Exact Mass: 508.21
• IUPAC Name: (2,2-difluorocyclopropyl)-[4-[1-[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone
• SMILES: Cc1noc(-c2ccc3nc(Nc4cc(C(C)N5CCN(C(=O)C6CC6(F)F)CC5)ccn4)[nH]c3c2)n1
• InChI: InChI=1S/C25H26F2N8O2/c1-14(34-7-9-35(10-8-34)23(36)18-13-25(18,26)27)16-5-6-28-21(12-16)32-24-30-19-4-3-17(11-20(19)31-24)22-29-15(2)33-37-22/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H2,28,30,31,32)
• InChIKey: WKJAHYNBMDDNQO-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 116.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.53
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2,2-difluorocyclopropyl)-[4-[1-[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone (CID 137490182) is (2,2-difluorocyclopropyl)-[4-[1-[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone.

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

The canonical SMILES for (2,2-difluorocyclopropyl)-[4-[1-[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone is Cc1noc(-c2ccc3nc(Nc4cc(C(C)N5CCN(C(=O)C6CC6(F)F)CC5)ccn4)[nH]c3c2)n1.

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

The InChIKey is WKJAHYNBMDDNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N8O2/c1-14(34-7-9-35(10-8-34)23(36)18-13-25(18,26)27)16-5-6-28-21(12-16)32-24-30-19-4-3-17(11-20(19)31-24)22-29-15(2)33-37-22/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H2,28,30,31,32).

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

(2,2-difluorocyclopropyl)-[4-[1-[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone has a molecular weight of 508.53 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2,2-difluorocyclopropyl)-[4-[1-[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 137490182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).