4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde

C20H15N3O — CID 86630668

IUPAC4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde
SMILESCc1c(-c2ccccc2)c(-c2ccc(C=O)cc2)nc2nccn12
InChIInChI=1S/C20H15N3O/c1-14-18(16-5-3-2-4-6-16)19(22-20-21-11-12-23(14)20)17-9-7-15(13-24)8-10-17/h2-13H,1H3
InChIKeyVOUJKAHPKFHVHA-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.18
Rot. Bonds3

About 4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde

4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde (PubChem CID 86630668) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde.

Molecular Properties

Compound Name4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde
PubChem CID86630668
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde
SMILESCc1c(-c2ccccc2)c(-c2ccc(C=O)cc2)nc2nccn12
InChIInChI=1S/C20H15N3O/c1-14-18(16-5-3-2-4-6-16)19(22-20-21-11-12-23(14)20)17-9-7-15(13-24)8-10-17/h2-13H,1H3
InChIKeyVOUJKAHPKFHVHA-UHFFFAOYSA-N
XLogP4.18
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.18
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

4-[2-methyl-5-(methylamino)-6-phenylimidazo[1,2-a]pyrimidin-7-yl]benzaldehyde
CID 86703055
4-[7-(cyclobutylamino)-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]benzaldehyde
CID 89044132
4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)benzaldehyde
CID 86630656
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
8-methoxy-3-methyl-2-phenylimidazo[1,2-a]pyrazine
CID 122608578
7-(chloromethyl)-6-phenylimidazo[1,2-a]pyrimidin-5-amine
CID 91282216
4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde
CID 11462006
1,5-dimethyl-3,4-diphenylpyrazole
CID 13146064
4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde
CID 143144222
dipyridin-2-ylmethanone;4-phenylbenzaldehyde
CID 87196974
4-[6-phenyl-2-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]benzaldehyde
CID 87561545
7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 87616611

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde?
The IUPAC name of 4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde (CID 86630668) is 4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde.
What is the SMILES notation for 4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde?
The canonical SMILES for 4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde is Cc1c(-c2ccccc2)c(-c2ccc(C=O)cc2)nc2nccn12.
What is the InChIKey of 4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde?
The InChIKey is VOUJKAHPKFHVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-14-18(16-5-3-2-4-6-16)19(22-20-21-11-12-23(14)20)17-9-7-15(13-24)8-10-17/h2-13H,1H3.
What are the key properties of 4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde?
4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde has a molecular weight of 313.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-6-phenylimidazo[1,2-a]pyrimidin-7-yl)benzaldehyde is sourced from PubChem (CID 86630668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).