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

C21H18ClN3OS — CID 69378541

IUPAC3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCCSc1ccc(-c2c(-c3ccc(OC)cc3)nc3ncccn23)cc1Cl
InChIInChI=1S/C21H18ClN3OS/c1-3-27-18-10-7-15(13-17(18)22)20-19(14-5-8-16(26-2)9-6-14)24-21-23-11-4-12-25(20)21/h4-13H,3H2,1-2H3
InChIKeyPGLXAHSRZDYYQV-UHFFFAOYSA-N
MW395.92 g/mol
LogP5.84
Rot. Bonds5

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

3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 69378541) has the molecular formula C21H18ClN3OS and a molecular weight of 395.92 g/mol. Its IUPAC name is 3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
PubChem CID69378541
Molecular FormulaC21H18ClN3OS
Molecular Weight395.92 g/mol
Exact Mass395.09
IUPAC Name3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCCSc1ccc(-c2c(-c3ccc(OC)cc3)nc3ncccn23)cc1Cl
InChIInChI=1S/C21H18ClN3OS/c1-3-27-18-10-7-15(13-17(18)22)20-19(14-5-8-16(26-2)9-6-14)24-21-23-11-4-12-25(20)21/h4-13H,3H2,1-2H3
InChIKeyPGLXAHSRZDYYQV-UHFFFAOYSA-N
XLogP5.84
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.92
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)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 3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine (CID 69378541) is 3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine is CCSc1ccc(-c2c(-c3ccc(OC)cc3)nc3ncccn23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is PGLXAHSRZDYYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3OS/c1-3-27-18-10-7-15(13-17(18)22)20-19(14-5-8-16(26-2)9-6-14)24-21-23-11-4-12-25(20)21/h4-13H,3H2,1-2H3.
What are the key properties of 3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 395.92 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-ethylsulfanylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 69378541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).