2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone

C22H27N5O2S — CID 90617825

About 2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 90617825) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
• PubChem CID: 90617825
• Molecular Formula: C22H27N5O2S
• Molecular Weight: 425.56 g/mol
• Exact Mass: 425.19
• IUPAC Name: 2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
• SMILES: O=C(Cn1cnc2ccccc21)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
• InChI: InChI=1S/C22H27N5O2S/c28-21(15-27-16-24-19-3-1-2-4-20(19)27)26-10-5-17(6-11-26)25-12-7-18(8-13-25)29-22-23-9-14-30-22/h1-4,9,14,16-18H,5-8,10-13,15H2
• InChIKey: WZPIZXFCVSJMIN-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 63.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.56
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone (CID 90617825) is 2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone is O=C(Cn1cnc2ccccc21)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.

What is the InChIKey of 2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?

The InChIKey is WZPIZXFCVSJMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c28-21(15-27-16-24-19-3-1-2-4-20(19)27)26-10-5-17(6-11-26)25-12-7-18(8-13-25)29-22-23-9-14-30-22/h1-4,9,14,16-18H,5-8,10-13,15H2.

What are the key properties of 2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?

2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 425.56 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90617825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).