4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde

C11H9FN2O — CID 123296667

IUPAC4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde
SMILESCn1cnc(-c2cc(F)ccc2C=O)c1
InChIInChI=1S/C11H9FN2O/c1-14-5-11(13-7-14)10-4-9(12)3-2-8(10)6-15/h2-7H,1H3
InChIKeyYADXPWSMNWBDQC-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.04
Rot. Bonds2

About 4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde

4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde (PubChem CID 123296667) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde
PubChem CID123296667
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde
SMILESCn1cnc(-c2cc(F)ccc2C=O)c1
InChIInChI=1S/C11H9FN2O/c1-14-5-11(13-7-14)10-4-9(12)3-2-8(10)6-15/h2-7H,1H3
InChIKeyYADXPWSMNWBDQC-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylimidazol-4-yl)benzaldehyde
CID 123462698
3-(1-methylimidazol-4-yl)pyridine-2-carbaldehyde
CID 130455733
5-fluoro-2-(4-methyl-2-pyridinyl)benzaldehyde
CID 141304242
2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde
CID 117293129
4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde
CID 139918150
4-fluoro-2-methylbenzaldehyde
CID 2783217
3-(2,5-difluorophenyl)-1-ethylpyrazole-4-carbaldehyde
CID 61264153
5-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)benzaldehyde
CID 58542031
methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate
CID 86674254
4-(2-fluoro-3-propan-2-ylphenyl)-1-methylimidazole
CID 146634880
3-(2-bromo-4-fluorophenyl)-1-(2-methylsulfonylethyl)pyrazole-4-carbaldehyde
CID 81042964
4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole
CID 22718134

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde?
The IUPAC name of 4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde (CID 123296667) is 4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde.
What is the SMILES notation for 4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde?
The canonical SMILES for 4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde is Cn1cnc(-c2cc(F)ccc2C=O)c1.
What is the InChIKey of 4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde?
The InChIKey is YADXPWSMNWBDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-14-5-11(13-7-14)10-4-9(12)3-2-8(10)6-15/h2-7H,1H3.
What are the key properties of 4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde?
4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde has a molecular weight of 204.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde is sourced from PubChem (CID 123296667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).