6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione

C19H14FN3OS — CID 23961931

IUPAC6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
SMILESCOc1ccc(-c2cn3c(=S)c(-c4ccccc4F)cnc3[nH]2)cc1
InChIInChI=1S/C19H14FN3OS/c1-24-13-8-6-12(7-9-13)17-11-23-18(25)15(10-21-19(23)22-17)14-4-2-3-5-16(14)20/h2-11H,1H3,(H,21,22)
InChIKeyIFEYJVBWXXXXTG-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.87
Rot. Bonds3

About 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione

6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione (PubChem CID 23961931) has the molecular formula C19H14FN3OS and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
PubChem CID23961931
Molecular FormulaC19H14FN3OS
Molecular Weight351.41 g/mol
Exact Mass351.08
IUPAC Name6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
SMILESCOc1ccc(-c2cn3c(=S)c(-c4ccccc4F)cnc3[nH]2)cc1
InChIInChI=1S/C19H14FN3OS/c1-24-13-8-6-12(7-9-13)17-11-23-18(25)15(10-21-19(23)22-17)14-4-2-3-5-16(14)20/h2-11H,1H3,(H,21,22)
InChIKeyIFEYJVBWXXXXTG-UHFFFAOYSA-N
XLogP4.87
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
CID 23790196
6-(4-ethoxyphenyl)-2-(4-phenylphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
CID 23935817
5-(2-fluorophenyl)-2-methoxy-1H-imidazole
CID 116883763
6-(4-methoxyphenyl)-1,5-dihydroimidazo[1,2-a]purin-9-one
CID 141173436
4-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200762
2-(4-ethoxyphenyl)-8-(4-phenylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23765467
2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 59587398
8-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23770960
2-(2-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 863660
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
2-[3-fluoro-2-(4-methoxyphenyl)phenyl]pyridine
CID 102052636

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione?
The IUPAC name of 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione (CID 23961931) is 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione.
What is the SMILES notation for 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione?
The canonical SMILES for 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione is COc1ccc(-c2cn3c(=S)c(-c4ccccc4F)cnc3[nH]2)cc1.
What is the InChIKey of 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione?
The InChIKey is IFEYJVBWXXXXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3OS/c1-24-13-8-6-12(7-9-13)17-11-23-18(25)15(10-21-19(23)22-17)14-4-2-3-5-16(14)20/h2-11H,1H3,(H,21,22).
What are the key properties of 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione?
6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione has a molecular weight of 351.41 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione is sourced from PubChem (CID 23961931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).