5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide

C22H27N3O2 — CID 145402215

About 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide

5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide (PubChem CID 145402215) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide.

Molecular Properties

• Compound Name: 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide
• PubChem CID: 145402215
• Molecular Formula: C22H27N3O2
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.21
• IUPAC Name: 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide
• SMILES: NC(=O)C12CCCC(C(O)CC3c4ccccc4-c4cncn43)(CC1)CC2
• InChI: InChI=1S/C22H27N3O2/c23-20(27)22-7-3-6-21(8-10-22,9-11-22)19(26)12-17-15-4-1-2-5-16(15)18-13-24-14-25(17)18/h1-2,4-5,13-14,17,19,26H,3,6-12H2,(H2,23,27)
• InChIKey: HJSXBQFGHQAPOO-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 81.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide?

The IUPAC name of 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide (CID 145402215) is 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide.

What is the SMILES notation for 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide?

The canonical SMILES for 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide is NC(=O)C12CCCC(C(O)CC3c4ccccc4-c4cncn43)(CC1)CC2.

What is the InChIKey of 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide?

The InChIKey is HJSXBQFGHQAPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c23-20(27)22-7-3-6-21(8-10-22,9-11-22)19(26)12-17-15-4-1-2-5-16(15)18-13-24-14-25(17)18/h1-2,4-5,13-14,17,19,26H,3,6-12H2,(H2,23,27).

What are the key properties of 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide?

5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide is sourced from PubChem (CID 145402215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).