6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine

C22H18FN3O2 — CID 145145149

IUPAC6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
SMILESC=Cc1cc(-c2cnc3nc(COc4ccc(F)cc4)cn3c2)ccc1OC
InChIInChI=1S/C22H18FN3O2/c1-3-15-10-16(4-9-21(15)27-2)17-11-24-22-25-19(13-26(22)12-17)14-28-20-7-5-18(23)6-8-20/h3-13H,1,14H2,2H3
InChIKeyOQCUJKSLQQTHQV-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.77
Rot. Bonds6

About 6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine

6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine (PubChem CID 145145149) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
PubChem CID145145149
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
SMILESC=Cc1cc(-c2cnc3nc(COc4ccc(F)cc4)cn3c2)ccc1OC
InChIInChI=1S/C22H18FN3O2/c1-3-15-10-16(4-9-21(15)27-2)17-11-24-22-25-19(13-26(22)12-17)14-28-20-7-5-18(23)6-8-20/h3-13H,1,14H2,2H3
InChIKeyOQCUJKSLQQTHQV-UHFFFAOYSA-N
XLogP4.77
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]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 6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine (CID 145145149) is 6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine is C=Cc1cc(-c2cnc3nc(COc4ccc(F)cc4)cn3c2)ccc1OC.
What is the InChIKey of 6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is OQCUJKSLQQTHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-3-15-10-16(4-9-21(15)27-2)17-11-24-22-25-19(13-26(22)12-17)14-28-20-7-5-18(23)6-8-20/h3-13H,1,14H2,2H3.
What are the key properties of 6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 375.40 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 145145149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).