2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde

C11H11FN2O — CID 142051298

IUPAC2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde
SMILESCN1CCN=C1c1ccc(C=O)c(F)c1
InChIInChI=1S/C11H11FN2O/c1-14-5-4-13-11(14)8-2-3-9(7-15)10(12)6-8/h2-3,6-7H,4-5H2,1H3
InChIKeyQIRZQTVPBVSALP-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.33
Rot. Bonds2

About 2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde

2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde (PubChem CID 142051298) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde
PubChem CID142051298
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde
SMILESCN1CCN=C1c1ccc(C=O)c(F)c1
InChIInChI=1S/C11H11FN2O/c1-14-5-4-13-11(14)8-2-3-9(7-15)10(12)6-8/h2-3,6-7H,4-5H2,1H3
InChIKeyQIRZQTVPBVSALP-UHFFFAOYSA-N
XLogP1.33
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.33
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-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde?
The IUPAC name of 2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde (CID 142051298) is 2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde?
The canonical SMILES for 2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde is CN1CCN=C1c1ccc(C=O)c(F)c1.
What is the InChIKey of 2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde?
The InChIKey is QIRZQTVPBVSALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-14-5-4-13-11(14)8-2-3-9(7-15)10(12)6-8/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde?
2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde has a molecular weight of 206.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzaldehyde is sourced from PubChem (CID 142051298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).