2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde

C13H13FN2O — CID 63974565

IUPAC2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde
SMILESCCCn1ccnc1-c1ccc(F)c(C=O)c1
InChIInChI=1S/C13H13FN2O/c1-2-6-16-7-5-15-13(16)10-3-4-12(14)11(8-10)9-17/h3-5,7-9H,2,6H2,1H3
InChIKeyUQRDIVLTKNYVSS-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.91
Rot. Bonds4

About 2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde

2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde (PubChem CID 63974565) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde
PubChem CID63974565
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde
SMILESCCCn1ccnc1-c1ccc(F)c(C=O)c1
InChIInChI=1S/C13H13FN2O/c1-2-6-16-7-5-15-13(16)10-3-4-12(14)11(8-10)9-17/h3-5,7-9H,2,6H2,1H3
InChIKeyUQRDIVLTKNYVSS-UHFFFAOYSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.91
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

4-(1-propylimidazol-2-yl)benzaldehyde
CID 63975190
N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
CID 63975615
N-[[2-fluoro-5-(1-propylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975818
5-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzaldehyde
CID 66008484
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354
N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 81447747
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815
5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde
CID 22566637
2-fluoro-5-pyridin-2-ylbenzaldehyde
CID 63680969
methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate
CID 82561230
N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 82772140
N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 63975816

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde?
The IUPAC name of 2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde (CID 63974565) is 2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde.
What is the SMILES notation for 2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde?
The canonical SMILES for 2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde is CCCn1ccnc1-c1ccc(F)c(C=O)c1.
What is the InChIKey of 2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde?
The InChIKey is UQRDIVLTKNYVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-2-6-16-7-5-15-13(16)10-3-4-12(14)11(8-10)9-17/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde?
2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde has a molecular weight of 232.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-propylimidazol-2-yl)benzaldehyde is sourced from PubChem (CID 63974565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).