6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione

C20H16FN3O2S — CID 23790196

IUPAC6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
SMILESCOc1ccc(-c2cnc3[nH]c(-c4ccc(F)cc4)cn3c2=S)cc1OC
InChIInChI=1S/C20H16FN3O2S/c1-25-17-8-5-13(9-18(17)26-2)15-10-22-20-23-16(11-24(20)19(15)27)12-3-6-14(21)7-4-12/h3-11H,1-2H3,(H,22,23)
InChIKeyJIFFGMIZLFXKIM-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.88
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione

6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione (PubChem CID 23790196) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
PubChem CID23790196
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
SMILESCOc1ccc(-c2cnc3[nH]c(-c4ccc(F)cc4)cn3c2=S)cc1OC
InChIInChI=1S/C20H16FN3O2S/c1-25-17-8-5-13(9-18(17)26-2)15-10-22-20-23-16(11-24(20)19(15)27)12-3-6-14(21)7-4-12/h3-11H,1-2H3,(H,22,23)
InChIKeyJIFFGMIZLFXKIM-UHFFFAOYSA-N
XLogP4.88
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
CID 23961931
[2-(3,4-dimethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]methanamine
CID 82060633
3-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
CID 56683997
5-(4-fluorophenyl)-4-methoxypyridin-2-amine
CID 171390992
1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
CID 118497324
5-(5-fluoro-2-methoxyphenyl)-1H-imidazole-2-carboxamide
CID 116883943
3-(3,4-dimethoxyphenyl)-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;dihydrochloride
CID 22031264
[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884083
5-(3,4-dimethoxyphenyl)-1-methylimidazol-2-amine
CID 6917239
5-(3,4-dimethoxyphenyl)-1H-pyrimidine-2-thione
CID 11482037
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline
CID 67997706

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione (CID 23790196) is 6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione is COc1ccc(-c2cnc3[nH]c(-c4ccc(F)cc4)cn3c2=S)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione?
The InChIKey is JIFFGMIZLFXKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-25-17-8-5-13(9-18(17)26-2)15-10-22-20-23-16(11-24(20)19(15)27)12-3-6-14(21)7-4-12/h3-11H,1-2H3,(H,22,23).
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione?
6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione has a molecular weight of 381.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyrimidine-5-thione is sourced from PubChem (CID 23790196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).