3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde

C20H18FN3O2 — CID 155143622

IUPAC3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde
SMILESO=Cc1cc(-n2cnc(-c3ccc(N4CCCC4)cc3)c2)cc(F)c1O
InChIInChI=1S/C20H18FN3O2/c21-18-10-17(9-15(12-25)20(18)26)24-11-19(22-13-24)14-3-5-16(6-4-14)23-7-1-2-8-23/h3-6,9-13,26H,1-2,7-8H2
InChIKeyOJJZSBLAIXUJDM-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.80
Rot. Bonds4

About 3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde

3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde (PubChem CID 155143622) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde
PubChem CID155143622
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde
SMILESO=Cc1cc(-n2cnc(-c3ccc(N4CCCC4)cc3)c2)cc(F)c1O
InChIInChI=1S/C20H18FN3O2/c21-18-10-17(9-15(12-25)20(18)26)24-11-19(22-13-24)14-3-5-16(6-4-14)23-7-1-2-8-23/h3-6,9-13,26H,1-2,7-8H2
InChIKeyOJJZSBLAIXUJDM-UHFFFAOYSA-N
XLogP3.80
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)triazol-1-yl]benzaldehyde
CID 155143412
3-fluoro-2-hydroxy-5-[2-(3-pyrrolidin-1-ylphenyl)ethyl]benzaldehyde
CID 167254120
3-fluoro-2-hydroxy-5-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]benzaldehyde
CID 155143537
3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)piperidin-1-yl]sulfonylbenzaldehyde
CID 163230266
5-[(Z)-1-amino-2-(N-amino-4-pyrrolidin-1-ylanilino)ethenyl]-3-fluoro-2-hydroxybenzaldehyde
CID 155157452
5-[4-[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]-1,3-thiazol-2-yl]-3-fluoro-2-hydroxybenzaldehyde
CID 155155270
3-fluoro-2-hydroxy-5-[3-(4-pyrrolidin-1-ylphenyl)pyrrolidine-1-carbonyl]benzaldehyde
CID 163230160
3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperidine-1-carbonyl]benzaldehyde
CID 163230423
3-methyl-1-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carbaldehyde
CID 84617595
2-hydroxy-3-methyl-5-[(E)-2-(4-piperidin-1-ylphenyl)ethenyl]benzaldehyde
CID 159685527
3-fluoro-2-hydroxy-5-(6-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)benzaldehyde
CID 163230030
2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde
CID 23005067

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde?
The IUPAC name of 3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde (CID 155143622) is 3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde?
The canonical SMILES for 3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde is O=Cc1cc(-n2cnc(-c3ccc(N4CCCC4)cc3)c2)cc(F)c1O.
What is the InChIKey of 3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde?
The InChIKey is OJJZSBLAIXUJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-18-10-17(9-15(12-25)20(18)26)24-11-19(22-13-24)14-3-5-16(6-4-14)23-7-1-2-8-23/h3-6,9-13,26H,1-2,7-8H2.
What are the key properties of 3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde?
3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde has a molecular weight of 351.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-5-[4-(4-pyrrolidin-1-ylphenyl)imidazol-1-yl]benzaldehyde is sourced from PubChem (CID 155143622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).