2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde

C11H9FN2O — CID 83881789

IUPAC2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde
SMILESO=CCc1cn(-c2ccc(F)cc2)cn1
InChIInChI=1S/C11H9FN2O/c12-9-1-3-11(4-2-9)14-7-10(5-6-15)13-8-14/h1-4,6-8H,5H2
InChIKeyYPBOQHGZWGIAIL-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.75
Rot. Bonds3

About 2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde

2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde (PubChem CID 83881789) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde
PubChem CID83881789
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde
SMILESO=CCc1cn(-c2ccc(F)cc2)cn1
InChIInChI=1S/C11H9FN2O/c12-9-1-3-11(4-2-9)14-7-10(5-6-15)13-8-14/h1-4,6-8H,5H2
InChIKeyYPBOQHGZWGIAIL-UHFFFAOYSA-N
XLogP1.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde?
The IUPAC name of 2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde (CID 83881789) is 2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde?
The canonical SMILES for 2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde is O=CCc1cn(-c2ccc(F)cc2)cn1.
What is the InChIKey of 2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde?
The InChIKey is YPBOQHGZWGIAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-9-1-3-11(4-2-9)14-7-10(5-6-15)13-8-14/h1-4,6-8H,5H2.
What are the key properties of 2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde?
2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde has a molecular weight of 204.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)imidazol-4-yl]acetaldehyde is sourced from PubChem (CID 83881789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).