4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde

C20H12F3N3O — CID 86703036

IUPAC4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde
SMILESO=Cc1ccc(-c2nc3nc(C(F)(F)F)cn3cc2-c2ccccc2)cc1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)17-11-26-10-16(14-4-2-1-3-5-14)18(25-19(26)24-17)15-8-6-13(12-27)7-9-15/h1-12H
InChIKeyAVJWVUCFQSPGGV-UHFFFAOYSA-N
MW367.33 g/mol
LogP4.89
Rot. Bonds3

About 4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde

4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde (PubChem CID 86703036) has the molecular formula C20H12F3N3O and a molecular weight of 367.33 g/mol. Its IUPAC name is 4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde.

Molecular Properties

Compound Name4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde
PubChem CID86703036
Molecular FormulaC20H12F3N3O
Molecular Weight367.33 g/mol
Exact Mass367.09
IUPAC Name4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde
SMILESO=Cc1ccc(-c2nc3nc(C(F)(F)F)cn3cc2-c2ccccc2)cc1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)17-11-26-10-16(14-4-2-1-3-5-14)18(25-19(26)24-17)15-8-6-13(12-27)7-9-15/h1-12H
InChIKeyAVJWVUCFQSPGGV-UHFFFAOYSA-N
XLogP4.89
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 87616611
methyl 7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 86703062
4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)benzaldehyde
CID 86630656
4-[6-phenyl-2-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]benzaldehyde
CID 87561545
1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
CID 46927245
4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde
CID 143144222
4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde
CID 86703037
1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
CID 46927249
methyl 5-(4-formylphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 86630701
3-phenyl-4-(trifluoromethyl)benzaldehyde
CID 46314974
3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzaldehyde
CID 172651268
4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde
CID 86703055

Frequently Asked Questions

What is the IUPAC name of 4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde?
The IUPAC name of 4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde (CID 86703036) is 4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde.
What is the SMILES notation for 4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde?
The canonical SMILES for 4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde is O=Cc1ccc(-c2nc3nc(C(F)(F)F)cn3cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde?
The InChIKey is AVJWVUCFQSPGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O/c21-20(22,23)17-11-26-10-16(14-4-2-1-3-5-14)18(25-19(26)24-17)15-8-6-13(12-27)7-9-15/h1-12H.
What are the key properties of 4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde?
4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde has a molecular weight of 367.33 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde is sourced from PubChem (CID 86703036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).