5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide

C26H29F3N4O5 — CID 144867100

About 5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide

5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide (PubChem CID 144867100) has the molecular formula C26H29F3N4O5 and a molecular weight of 534.54 g/mol. Its IUPAC name is 5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

• Compound Name: 5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide
• PubChem CID: 144867100
• Molecular Formula: C26H29F3N4O5
• Molecular Weight: 534.54 g/mol
• Exact Mass: 534.21
• IUPAC Name: 5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide
• SMILES: NC(=O)c1cc(C2=CN(CCO)CN2)ccc1OC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1
• InChI: InChI=1S/C26H29F3N4O5/c27-26(28,29)38-20-4-1-17(2-5-20)13-24(35)33-9-7-19(8-10-33)37-23-6-3-18(14-21(23)25(30)36)22-15-32(11-12-34)16-31-22/h1-6,14-15,19,31,34H,7-13,16H2,(H2,30,36)
• InChIKey: BHOZQISKVUJUHP-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 117.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.54
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide?

The IUPAC name of 5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide (CID 144867100) is 5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide.

What is the SMILES notation for 5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide?

The canonical SMILES for 5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide is NC(=O)c1cc(C2=CN(CCO)CN2)ccc1OC1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1.

What is the InChIKey of 5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide?

The InChIKey is BHOZQISKVUJUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O5/c27-26(28,29)38-20-4-1-17(2-5-20)13-24(35)33-9-7-19(8-10-33)37-23-6-3-18(14-21(23)25(30)36)22-15-32(11-12-34)16-31-22/h1-6,14-15,19,31,34H,7-13,16H2,(H2,30,36).

What are the key properties of 5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide?

5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide has a molecular weight of 534.54 g/mol, XLogP of 2.45, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 144867100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).