4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide

C17H19N3O2 — CID 129282592

IUPAC4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(O)(C2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C17H19N3O2/c18-16(21)11-5-7-17(22,8-6-11)15-13-4-2-1-3-12(13)14-9-19-10-20(14)15/h1-4,9-11,15,22H,5-8H2,(H2,18,21)
InChIKeyOWHUSDNCLFIKBQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.86
Rot. Bonds2

About 4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide

4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide (PubChem CID 129282592) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide
PubChem CID129282592
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(O)(C2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C17H19N3O2/c18-16(21)11-5-7-17(22,8-6-11)15-13-4-2-1-3-12(13)14-9-19-10-20(14)15/h1-4,9-11,15,22H,5-8H2,(H2,18,21)
InChIKeyOWHUSDNCLFIKBQ-UHFFFAOYSA-N
XLogP1.86
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide (CID 129282592) is 4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide is NC(=O)C1CCC(O)(C2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of 4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is OWHUSDNCLFIKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-16(21)11-5-7-17(22,8-6-11)15-13-4-2-1-3-12(13)14-9-19-10-20(14)15/h1-4,9-11,15,22H,5-8H2,(H2,18,21).
What are the key properties of 4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide?
4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 129282592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).