2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one

C19H22N2O — CID 129296297

IUPAC2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one
SMILESCC1(C)CCCC(C)(C2c3ccccc3-c3cncn32)C1=O
InChIInChI=1S/C19H22N2O/c1-18(2)9-6-10-19(3,17(18)22)16-14-8-5-4-7-13(14)15-11-20-12-21(15)16/h4-5,7-8,11-12,16H,6,9-10H2,1-3H3
InChIKeyYWZXZCGPQDQHIH-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.24
Rot. Bonds1

About 2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one

2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one (PubChem CID 129296297) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one
PubChem CID129296297
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one
SMILESCC1(C)CCCC(C)(C2c3ccccc3-c3cncn32)C1=O
InChIInChI=1S/C19H22N2O/c1-18(2)9-6-10-19(3,17(18)22)16-14-8-5-4-7-13(14)15-11-20-12-21(15)16/h4-5,7-8,11-12,16H,6,9-10H2,1-3H3
InChIKeyYWZXZCGPQDQHIH-UHFFFAOYSA-N
XLogP4.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one?
The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one (CID 129296297) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one.
What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one?
The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one is CC1(C)CCCC(C)(C2c3ccccc3-c3cncn32)C1=O.
What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one?
The InChIKey is YWZXZCGPQDQHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-18(2)9-6-10-19(3,17(18)22)16-14-8-5-4-7-13(14)15-11-20-12-21(15)16/h4-5,7-8,11-12,16H,6,9-10H2,1-3H3.
What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one?
2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one has a molecular weight of 294.40 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-2,6,6-trimethylcyclohexan-1-one is sourced from PubChem (CID 129296297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).