7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine

C22H21N3S2 — CID 69376587

IUPAC7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine
SMILESCSc1ccc(-c2nc3nc(C)ccn3c2-c2ccc(SC)c(C)c2)cc1
InChIInChI=1S/C22H21N3S2/c1-14-13-17(7-10-19(14)27-4)21-20(16-5-8-18(26-3)9-6-16)24-22-23-15(2)11-12-25(21)22/h5-13H,1-4H3
InChIKeyJNYXNXZJOWGXAX-UHFFFAOYSA-N
MW391.57 g/mol
LogP6.12
Rot. Bonds4

About 7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine

7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 69376587) has the molecular formula C22H21N3S2 and a molecular weight of 391.57 g/mol. Its IUPAC name is 7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine
PubChem CID69376587
Molecular FormulaC22H21N3S2
Molecular Weight391.57 g/mol
Exact Mass391.12
IUPAC Name7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine
SMILESCSc1ccc(-c2nc3nc(C)ccn3c2-c2ccc(SC)c(C)c2)cc1
InChIInChI=1S/C22H21N3S2/c1-14-13-17(7-10-19(14)27-4)21-20(16-5-8-18(26-3)9-6-16)24-22-23-15(2)11-12-25(21)22/h5-13H,1-4H3
InChIKeyJNYXNXZJOWGXAX-UHFFFAOYSA-N
XLogP6.12
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.57
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[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 7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine (CID 69376587) is 7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine is CSc1ccc(-c2nc3nc(C)ccn3c2-c2ccc(SC)c(C)c2)cc1.
What is the InChIKey of 7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is JNYXNXZJOWGXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3S2/c1-14-13-17(7-10-19(14)27-4)21-20(16-5-8-18(26-3)9-6-16)24-22-23-15(2)11-12-25(21)22/h5-13H,1-4H3.
What are the key properties of 7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine?
7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 391.57 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 69376587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).