2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde

C20H23FN2O2 — CID 90434183

IUPAC2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde
SMILESCC(C)n1cncc1C1=C(COc2cccc(F)c2C=O)CCCC1
InChIInChI=1S/C20H23FN2O2/c1-14(2)23-13-22-10-19(23)16-7-4-3-6-15(16)12-25-20-9-5-8-18(21)17(20)11-24/h5,8-11,13-14H,3-4,6-7,12H2,1-2H3
InChIKeyQPKUUXKPJDCWOG-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.82
Rot. Bonds6

About 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde

2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde (PubChem CID 90434183) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde
PubChem CID90434183
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde
SMILESCC(C)n1cncc1C1=C(COc2cccc(F)c2C=O)CCCC1
InChIInChI=1S/C20H23FN2O2/c1-14(2)23-13-22-10-19(23)16-7-4-3-6-15(16)12-25-20-9-5-8-18(21)17(20)11-24/h5,8-11,13-14H,3-4,6-7,12H2,1-2H3
InChIKeyQPKUUXKPJDCWOG-UHFFFAOYSA-N
XLogP4.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde?
The IUPAC name of 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde (CID 90434183) is 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde.
What is the SMILES notation for 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde?
The canonical SMILES for 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde is CC(C)n1cncc1C1=C(COc2cccc(F)c2C=O)CCCC1.
What is the InChIKey of 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde?
The InChIKey is QPKUUXKPJDCWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14(2)23-13-22-10-19(23)16-7-4-3-6-15(16)12-25-20-9-5-8-18(21)17(20)11-24/h5,8-11,13-14H,3-4,6-7,12H2,1-2H3.
What are the key properties of 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde?
2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde has a molecular weight of 342.41 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexen-1-yl]methoxy]benzaldehyde is sourced from PubChem (CID 90434183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).