3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine

C21H19N3S — CID 69378756

IUPAC3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine
SMILESCCCSc1ccc(-c2nc3ncccn3c2-c2ccccc2)cc1
InChIInChI=1S/C21H19N3S/c1-2-15-25-18-11-9-16(10-12-18)19-20(17-7-4-3-5-8-17)24-14-6-13-22-21(24)23-19/h3-14H,2,15H2,1H3
InChIKeyYDENRMADTTVYCK-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.57
Rot. Bonds5

About 3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine

3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 69378756) has the molecular formula C21H19N3S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine
PubChem CID69378756
Molecular FormulaC21H19N3S
Molecular Weight345.47 g/mol
Exact Mass345.13
IUPAC Name3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine
SMILESCCCSc1ccc(-c2nc3ncccn3c2-c2ccccc2)cc1
InChIInChI=1S/C21H19N3S/c1-2-15-25-18-11-9-16(10-12-18)19-20(17-7-4-3-5-8-17)24-14-6-13-22-21(24)23-19/h3-14H,2,15H2,1H3
InChIKeyYDENRMADTTVYCK-UHFFFAOYSA-N
XLogP5.57
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine (CID 69378756) is 3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine is CCCSc1ccc(-c2nc3ncccn3c2-c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is YDENRMADTTVYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3S/c1-2-15-25-18-11-9-16(10-12-18)19-20(17-7-4-3-5-8-17)24-14-6-13-22-21(24)23-19/h3-14H,2,15H2,1H3.
What are the key properties of 3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine?
3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 345.47 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(4-propylsulfanylphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 69378756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).