[4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone

C27H26N6O2S — CID 55446987

About [4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone

[4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone (PubChem CID 55446987) has the molecular formula C27H26N6O2S and a molecular weight of 498.61 g/mol. Its IUPAC name is [4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
• PubChem CID: 55446987
• Molecular Formula: C27H26N6O2S
• Molecular Weight: 498.61 g/mol
• Exact Mass: 498.18
• IUPAC Name: [4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
• SMILES: O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(CCCc2nc(-c3cccs3)no2)CC1
• InChI: InChI=1S/C27H26N6O2S/c34-27(20-9-11-21(12-10-20)33-19-28-22-5-1-2-6-23(22)33)32-16-14-31(15-17-32)13-3-8-25-29-26(30-35-25)24-7-4-18-36-24/h1-2,4-7,9-12,18-19H,3,8,13-17H2
• InChIKey: KUYKNNOYPIQBKO-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 80.29 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.61
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?

The IUPAC name of [4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone (CID 55446987) is [4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone.

What is the SMILES notation for [4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?

The canonical SMILES for [4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone is O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCN(CCCc2nc(-c3cccs3)no2)CC1.

What is the InChIKey of [4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?

The InChIKey is KUYKNNOYPIQBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2S/c34-27(20-9-11-21(12-10-20)33-19-28-22-5-1-2-6-23(22)33)32-16-14-31(15-17-32)13-3-8-25-29-26(30-35-25)24-7-4-18-36-24/h1-2,4-7,9-12,18-19H,3,8,13-17H2.

What are the key properties of [4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?

[4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone has a molecular weight of 498.61 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(benzimidazol-1-yl)phenyl]-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55446987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).