4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde

C11H9FN2O — CID 84672147

IUPAC4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde
SMILESCn1cc(-c2ccc(F)cc2)nc1C=O
InChIInChI=1S/C11H9FN2O/c1-14-6-10(13-11(14)7-15)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKeyXYVRMLJZJZIYID-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.04
Rot. Bonds2

About 4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde

4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde (PubChem CID 84672147) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde
PubChem CID84672147
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde
SMILESCn1cc(-c2ccc(F)cc2)nc1C=O
InChIInChI=1S/C11H9FN2O/c1-14-6-10(13-11(14)7-15)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKeyXYVRMLJZJZIYID-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

1-methyl-4-(6-methyl-3-pyridinyl)imidazole-2-carbaldehyde
CID 86687900
bis[4-[4-(4-fluorophenoxy)phenyl]-1-methylimidazol-2-yl]methanone
CID 70631715
3-(4-fluorophenyl)-1-methylpyrrole-2-carbaldehyde
CID 57199023
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]formamide
CID 24994442
2-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-4-carbaldehyde
CID 131955075
6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817670
2-(4-fluorophenyl)-1-methylimidazol-4-ol
CID 106952412
4-(4-fluorophenyl)-1-pentylimidazol-2-amine
CID 162669680
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
N-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine
CID 67215155
5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 87734412
1-methyl-4-(2-methylpropyl)imidazole-2-carbaldehyde
CID 84652474

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde (CID 84672147) is 4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde is Cn1cc(-c2ccc(F)cc2)nc1C=O.
What is the InChIKey of 4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde?
The InChIKey is XYVRMLJZJZIYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-14-6-10(13-11(14)7-15)8-2-4-9(12)5-3-8/h2-7H,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde?
4-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde 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-(4-fluorophenyl)-1-methylimidazole-2-carbaldehyde is sourced from PubChem (CID 84672147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).