7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid

C20H13N3O3 — CID 87616611

IUPAC7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=Cc1ccc(-c2nc3nc(C(=O)O)cn3cc2-c2ccccc2)cc1
InChIInChI=1S/C20H13N3O3/c24-12-13-6-8-15(9-7-13)18-16(14-4-2-1-3-5-14)10-23-11-17(19(25)26)21-20(23)22-18/h1-12H,(H,25,26)
InChIKeyIODRPBKUOFJGGQ-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.57
Rot. Bonds4

About 7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid

7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 87616611) has the molecular formula C20H13N3O3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID87616611
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
Exact Mass343.10
IUPAC Name7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=Cc1ccc(-c2nc3nc(C(=O)O)cn3cc2-c2ccccc2)cc1
InChIInChI=1S/C20H13N3O3/c24-12-13-6-8-15(9-7-13)18-16(14-4-2-1-3-5-14)10-23-11-17(19(25)26)21-20(23)22-18/h1-12H,(H,25,26)
InChIKeyIODRPBKUOFJGGQ-UHFFFAOYSA-N
XLogP3.57
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.57
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

methyl 7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 86703062
4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde
CID 86703036
4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)benzaldehyde
CID 86630656
methyl 5-(4-formylphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 86630701
4-[6-phenyl-2-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]benzaldehyde
CID 87561545
6-formylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 23155605
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
5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957969
dipyridin-2-ylmethanone;4-phenylbenzaldehyde
CID 87196974
1-[4-(2-ethyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
CID 46927249

Frequently Asked Questions

What is the IUPAC name of 7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 87616611) is 7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid is O=Cc1ccc(-c2nc3nc(C(=O)O)cn3cc2-c2ccccc2)cc1.
What is the InChIKey of 7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is IODRPBKUOFJGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3/c24-12-13-6-8-15(9-7-13)18-16(14-4-2-1-3-5-14)10-23-11-17(19(25)26)21-20(23)22-18/h1-12H,(H,25,26).
What are the key properties of 7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid?
7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 343.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 87616611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).