3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine

C24H25N5O2S — CID 122183049

IUPAC3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3c(-c4ccccc4)nc4ncccn34)CC2)cc1
InChIInChI=1S/C24H25N5O2S/c1-19-8-10-21(11-9-19)32(30,31)28-16-14-27(15-17-28)18-22-23(20-6-3-2-4-7-20)26-24-25-12-5-13-29(22)24/h2-13H,14-18H2,1H3
InChIKeySZEHPWWSHUVJMG-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.21
Rot. Bonds5

About 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine

3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine (PubChem CID 122183049) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine
PubChem CID122183049
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3c(-c4ccccc4)nc4ncccn34)CC2)cc1
InChIInChI=1S/C24H25N5O2S/c1-19-8-10-21(11-9-19)32(30,31)28-16-14-27(15-17-28)18-22-23(20-6-3-2-4-7-20)26-24-25-12-5-13-29(22)24/h2-13H,14-18H2,1H3
InChIKeySZEHPWWSHUVJMG-UHFFFAOYSA-N
XLogP3.21
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine?
The IUPAC name of 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine (CID 122183049) is 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine is Cc1ccc(S(=O)(=O)N2CCN(Cc3c(-c4ccccc4)nc4ncccn34)CC2)cc1.
What is the InChIKey of 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine?
The InChIKey is SZEHPWWSHUVJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-19-8-10-21(11-9-19)32(30,31)28-16-14-27(15-17-28)18-22-23(20-6-3-2-4-7-20)26-24-25-12-5-13-29(22)24/h2-13H,14-18H2,1H3.
What are the key properties of 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine?
3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine has a molecular weight of 447.56 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-phenylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).