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

C22H26N2O3 — CID 145402383

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

5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxylic acid (PubChem CID 145402383) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 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-carboxylic acid.

Molecular Properties

• Compound Name: 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxylic acid
• PubChem CID: 145402383
• Molecular Formula: C22H26N2O3
• Molecular Weight: 366.46 g/mol
• Exact Mass: 366.19
• IUPAC Name: 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxylic acid
• SMILES: O=C(O)C12CCCC(C(O)CC3c4ccccc4-c4cncn43)(CC1)CC2
• InChI: InChI=1S/C22H26N2O3/c25-19(21-6-3-7-22(10-8-21,11-9-21)20(26)27)12-17-15-4-1-2-5-16(15)18-13-23-14-24(17)18/h1-2,4-5,13-14,17,19,25H,3,6-12H2,(H,26,27)
• InChIKey: DAUAKEMMBINYSG-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 75.35 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	366.46
LogP ≤ 5	4.02
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-carboxylic acid?

The IUPAC name of 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxylic acid (CID 145402383) is 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxylic acid.

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-carboxylic acid?

The canonical SMILES for 5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxylic acid is O=C(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-carboxylic acid?

The InChIKey is DAUAKEMMBINYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-19(21-6-3-7-22(10-8-21,11-9-21)20(26)27)12-17-15-4-1-2-5-16(15)18-13-23-14-24(17)18/h1-2,4-5,13-14,17,19,25H,3,6-12H2,(H,26,27).

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-carboxylic acid?

5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 4.02, 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-carboxylic acid is sourced from PubChem (CID 145402383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).