3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde

C11H9FN2O — CID 86724164

IUPAC3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde
SMILESCc1cncn1-c1ccc(C=O)cc1F
InChIInChI=1S/C11H9FN2O/c1-8-5-13-7-14(8)11-3-2-9(6-15)4-10(11)12/h2-7H,1H3
InChIKeyULVJWLKJASTYNS-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.13
Rot. Bonds2

About 3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde

3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde (PubChem CID 86724164) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde
PubChem CID86724164
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde
SMILESCc1cncn1-c1ccc(C=O)cc1F
InChIInChI=1S/C11H9FN2O/c1-8-5-13-7-14(8)11-3-2-9(6-15)4-10(11)12/h2-7H,1H3
InChIKeyULVJWLKJASTYNS-UHFFFAOYSA-N
XLogP2.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-(5-methylimidazol-1-yl)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 3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde?
The IUPAC name of 3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde (CID 86724164) is 3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde.
What is the SMILES notation for 3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde?
The canonical SMILES for 3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde is Cc1cncn1-c1ccc(C=O)cc1F.
What is the InChIKey of 3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde?
The InChIKey is ULVJWLKJASTYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-8-5-13-7-14(8)11-3-2-9(6-15)4-10(11)12/h2-7H,1H3.
What are the key properties of 3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde?
3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde has a molecular weight of 204.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(5-methylimidazol-1-yl)benzaldehyde is sourced from PubChem (CID 86724164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).