N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

C26H29N5OS — CID 59365356

About N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 59365356) has the molecular formula C26H29N5OS and a molecular weight of 459.62 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
• PubChem CID: 59365356
• Molecular Formula: C26H29N5OS
• Molecular Weight: 459.62 g/mol
• Exact Mass: 459.21
• IUPAC Name: N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(C2CCN(CCCn3c(-c4cscn4)nc4ccccc43)CC2)c1
• InChI: InChI=1S/C26H29N5OS/c1-19(32)28-22-7-4-6-21(16-22)20-10-14-30(15-11-20)12-5-13-31-25-9-3-2-8-23(25)29-26(31)24-17-33-18-27-24/h2-4,6-9,16-18,20H,5,10-15H2,1H3,(H,28,32)
• InChIKey: WPJNWPSQAZGGTI-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.62
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The IUPAC name of N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 59365356) is N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3c(-c4cscn4)nc4ccccc43)CC2)c1.

What is the InChIKey of N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The InChIKey is WPJNWPSQAZGGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5OS/c1-19(32)28-22-7-4-6-21(16-22)20-10-14-30(15-11-20)12-5-13-31-25-9-3-2-8-23(25)29-26(31)24-17-33-18-27-24/h2-4,6-9,16-18,20H,5,10-15H2,1H3,(H,28,32).

What are the key properties of N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?

N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 459.62 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 59365356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).