2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine

C22H21N3O3S — CID 69378441

IUPAC2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine
SMILESCCCS(=O)(=O)c1ccc(-c2c(-c3ccc(OC)cc3)nc3ncccn23)cc1
InChIInChI=1S/C22H21N3O3S/c1-3-15-29(26,27)19-11-7-17(8-12-19)21-20(16-5-9-18(28-2)10-6-16)24-22-23-13-4-14-25(21)22/h4-14H,3,15H2,1-2H3
InChIKeySVCRMOXPBUXXIM-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.26
Rot. Bonds6

About 2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine

2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 69378441) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine
PubChem CID69378441
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine
SMILESCCCS(=O)(=O)c1ccc(-c2c(-c3ccc(OC)cc3)nc3ncccn23)cc1
InChIInChI=1S/C22H21N3O3S/c1-3-15-29(26,27)19-11-7-17(8-12-19)21-20(16-5-9-18(28-2)10-6-16)24-22-23-13-4-14-25(21)22/h4-14H,3,15H2,1-2H3
InChIKeySVCRMOXPBUXXIM-UHFFFAOYSA-N
XLogP4.26
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine (CID 69378441) is 2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine is CCCS(=O)(=O)c1ccc(-c2c(-c3ccc(OC)cc3)nc3ncccn23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is SVCRMOXPBUXXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-3-15-29(26,27)19-11-7-17(8-12-19)21-20(16-5-9-18(28-2)10-6-16)24-22-23-13-4-14-25(21)22/h4-14H,3,15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine?
2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 407.50 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(4-propylsulfonylphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 69378441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).