2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde

C18H19FN2O — CID 123260969

IUPAC2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde
SMILESO=CC(c1c2c(c3cncn13)=CC=CC2F)C1CCCCC1
InChIInChI=1S/C18H19FN2O/c19-15-8-4-7-13-16-9-20-11-21(16)18(17(13)15)14(10-22)12-5-2-1-3-6-12/h4,7-12,14-15H,1-3,5-6H2
InChIKeyXZWQURRYMDTQTC-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.28
Rot. Bonds3

About 2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde

2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde (PubChem CID 123260969) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde
PubChem CID123260969
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde
SMILESO=CC(c1c2c(c3cncn13)=CC=CC2F)C1CCCCC1
InChIInChI=1S/C18H19FN2O/c19-15-8-4-7-13-16-9-20-11-21(16)18(17(13)15)14(10-22)12-5-2-1-3-6-12/h4,7-12,14-15H,1-3,5-6H2
InChIKeyXZWQURRYMDTQTC-UHFFFAOYSA-N
XLogP3.28
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde
CID 123168407
2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-methylidenecyclohexyl)ethanol
CID 123242255
2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol
CID 123251202
4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one
CID 123607424
2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol
CID 123708692
2-[4-(cyclopropylmethylidene)cyclohexyl]-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol
CID 123810335
1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
CID 130330836
1-cyclohexyl-2-[6-(2-fluorophenyl)-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethanone
CID 130330865
2-(6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[2-[(1E,3E)-4-fluorohexa-1,3,5-trienyl]spiro[3.5]nonan-7-yl]ethanone
CID 142284538
[4-Fluoro-4-[2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9-tetraen-7-yl)ethyl]cyclohexyl]-piperidin-1-ylmethanone
CID 142610968
[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]-piperidin-1-ylmethanone
CID 142610972
2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide
CID 142610977

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde?
The IUPAC name of 2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde (CID 123260969) is 2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde.
What is the SMILES notation for 2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde?
The canonical SMILES for 2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde is O=CC(c1c2c(c3cncn13)=CC=CC2F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde?
The InChIKey is XZWQURRYMDTQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-15-8-4-7-13-16-9-20-11-21(16)18(17(13)15)14(10-22)12-5-2-1-3-6-12/h4,7-12,14-15H,1-3,5-6H2.
What are the key properties of 2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde?
2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde has a molecular weight of 298.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde is sourced from PubChem (CID 123260969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).