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

C22H27N3O2 — CID 145402215

IUPAC5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide
SMILESNC(=O)C12CCCC(C(O)CC3c4ccccc4-c4cncn43)(CC1)CC2
InChIInChI=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)
InChIKeyHJSXBQFGHQAPOO-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.42
Rot. Bonds4

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 Name5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide
PubChem CID145402215
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name5-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]bicyclo[3.2.2]nonane-1-carboxamide
SMILESNC(=O)C12CCCC(C(O)CC3c4ccccc4-c4cncn43)(CC1)CC2
InChIInChI=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)
InChIKeyHJSXBQFGHQAPOO-UHFFFAOYSA-N
XLogP3.42
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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).