5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one

C22H16Cl2N6O4 — CID 25262942

IUPAC5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(-c2n[nH]c(=O)o2)c1
InChIInChI=1S/C22H16Cl2N6O4/c1-32-11-9-12(20-28-29-22(31)34-20)16(15(10-11)33-2)18-19(30-8-4-7-25-21(30)27-18)26-17-13(23)5-3-6-14(17)24/h3-10,26H,1-2H3,(H,29,31)
InChIKeyIPRXKKFGVVSBIN-UHFFFAOYSA-N
MW499.31 g/mol
LogP4.81
Rot. Bonds6

About 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one

5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 25262942) has the molecular formula C22H16Cl2N6O4 and a molecular weight of 499.31 g/mol. Its IUPAC name is 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID25262942
Molecular FormulaC22H16Cl2N6O4
Molecular Weight499.31 g/mol
Exact Mass498.06
IUPAC Name5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCOc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(-c2n[nH]c(=O)o2)c1
InChIInChI=1S/C22H16Cl2N6O4/c1-32-11-9-12(20-28-29-22(31)34-20)16(15(10-11)33-2)18-19(30-8-4-7-25-21(30)27-18)26-17-13(23)5-3-6-14(17)24/h3-10,26H,1-2H3,(H,29,31)
InChIKeyIPRXKKFGVVSBIN-UHFFFAOYSA-N
XLogP4.81
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.31
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one 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 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one (CID 25262942) is 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one is COc1cc(OC)c(-c2nc3ncccn3c2Nc2c(Cl)cccc2Cl)c(-c2n[nH]c(=O)o2)c1.
What is the InChIKey of 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is IPRXKKFGVVSBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N6O4/c1-32-11-9-12(20-28-29-22(31)34-20)16(15(10-11)33-2)18-19(30-8-4-7-25-21(30)27-18)26-17-13(23)5-3-6-14(17)24/h3-10,26H,1-2H3,(H,29,31).
What are the key properties of 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one?
5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 499.31 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(2,6-dichloroanilino)imidazo[1,2-a]pyrimidin-2-yl]-3,5-dimethoxyphenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 25262942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).