3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine

C18H13Cl2N3OS — CID 141110720

IUPAC3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2nc3ncccn3c2-c2sc(Cl)c(Cl)c2C)cc1
InChIInChI=1S/C18H13Cl2N3OS/c1-10-13(19)17(20)25-16(10)15-14(11-4-6-12(24-2)7-5-11)22-18-21-8-3-9-23(15)18/h3-9H,1-2H3
InChIKeyFTBMZFUNPKNQNA-UHFFFAOYSA-N
MW390.30 g/mol
LogP5.75
Rot. Bonds3

About 3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine

3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 141110720) has the molecular formula C18H13Cl2N3OS and a molecular weight of 390.30 g/mol. Its IUPAC name is 3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
PubChem CID141110720
Molecular FormulaC18H13Cl2N3OS
Molecular Weight390.30 g/mol
Exact Mass389.02
IUPAC Name3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2nc3ncccn3c2-c2sc(Cl)c(Cl)c2C)cc1
InChIInChI=1S/C18H13Cl2N3OS/c1-10-13(19)17(20)25-16(10)15-14(11-4-6-12(24-2)7-5-11)22-18-21-8-3-9-23(15)18/h3-9H,1-2H3
InChIKeyFTBMZFUNPKNQNA-UHFFFAOYSA-N
XLogP5.75
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.30
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4,5-dichloro-3-methylthiophen-2-yl)-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-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine (CID 141110720) is 3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine is COc1ccc(-c2nc3ncccn3c2-c2sc(Cl)c(Cl)c2C)cc1.
What is the InChIKey of 3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is FTBMZFUNPKNQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3OS/c1-10-13(19)17(20)25-16(10)15-14(11-4-6-12(24-2)7-5-11)22-18-21-8-3-9-23(15)18/h3-9H,1-2H3.
What are the key properties of 3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 390.30 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dichloro-3-methylthiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 141110720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).