3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one

C24H23N5O2S — CID 139523346

IUPAC3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one
SMILESCC(C)c1ccc(Sc2nc3c(=O)n4cc(-c5ccccc5)[nH]c4nc3n2CCO)cc1
InChIInChI=1S/C24H23N5O2S/c1-15(2)16-8-10-18(11-9-16)32-24-26-20-21(28(24)12-13-30)27-23-25-19(14-29(23)22(20)31)17-6-4-3-5-7-17/h3-11,14-15,30H,12-13H2,1-2H3,(H,25,27)
InChIKeyOJYHMNVSKWHPFE-UHFFFAOYSA-N
MW445.55 g/mol
LogP4.31
Rot. Bonds6

About 3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one

3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one (PubChem CID 139523346) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one
PubChem CID139523346
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one
SMILESCC(C)c1ccc(Sc2nc3c(=O)n4cc(-c5ccccc5)[nH]c4nc3n2CCO)cc1
InChIInChI=1S/C24H23N5O2S/c1-15(2)16-8-10-18(11-9-16)32-24-26-20-21(28(24)12-13-30)27-23-25-19(14-29(23)22(20)31)17-6-4-3-5-7-17/h3-11,14-15,30H,12-13H2,1-2H3,(H,25,27)
InChIKeyOJYHMNVSKWHPFE-UHFFFAOYSA-N
XLogP4.31
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one 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

2-(4-fluorophenyl)sulfanyl-3-(2-hydroxyethyl)-6-phenyl-5H-imidazo[1,2-a]purin-9-one
CID 166788787
3-(2-hydroxyethyl)-6-phenyl-2-thiophen-2-ylsulfanyl-5H-imidazo[1,2-a]purin-9-one
CID 166788772
3-(2-hydroxyethyl)-6-phenyl-2-(2-phenylethylsulfanyl)-5H-imidazo[1,2-a]purin-9-one
CID 166788952
3-(2-hydroxyethyl)-6-(4-methoxyphenyl)-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one
CID 166788800
3-[(6R,7aS)-2,7-dihydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one
CID 174094960
N-(3-ethoxy-3-methylbutyl)-2-[[3-(2-hydroxyethyl)-9-oxo-6-phenyl-5H-imidazo[1,2-a]purin-2-yl]sulfanyl]acetamide
CID 166788889
2-(4-chlorophenyl)-3-(2-hydroxyethyl)-6-phenyl-5H-imidazo[1,2-a]purin-9-one;2-hydroxyethoxy(methoxy)phosphinothious acid;methanol
CID 176554826
2,4-dimethyl-7-(4-phenylphenyl)-6H-purino[7,8-a]imidazole-1,3-dione
CID 11545203
2-naphthalen-2-ylsulfanyl-6-phenyl-3-(3,3,9-trihydroxy-2,4,7-trioxa-3-phosphoniatricyclo[6.1.1.01,6]decan-8-yl)-5H-imidazo[1,2-a]purin-9-one
CID 163588623
2-[(9-oxo-6-phenyl-5H-imidazo[1,2-a]purin-3-yl)methoxy]ethyl (2R)-2-amino-3-methylbutanoate
CID 25151476
3-[(6R,7S,7aS)-2,7-dihydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-2-propylsulfanyl-5H-imidazo[1,2-a]purin-9-one
CID 174095089
2-[[3-[(6R,7aS)-7-hydroxy-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-9-oxo-6-phenyl-5H-imidazo[1,2-a]purin-2-yl]sulfanyl]acetic acid
CID 176554810

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one?
The IUPAC name of 3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one (CID 139523346) is 3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one?
The canonical SMILES for 3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one is CC(C)c1ccc(Sc2nc3c(=O)n4cc(-c5ccccc5)[nH]c4nc3n2CCO)cc1.
What is the InChIKey of 3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one?
The InChIKey is OJYHMNVSKWHPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-15(2)16-8-10-18(11-9-16)32-24-26-20-21(28(24)12-13-30)27-23-25-19(14-29(23)22(20)31)17-6-4-3-5-7-17/h3-11,14-15,30H,12-13H2,1-2H3,(H,25,27).
What are the key properties of 3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one?
3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one has a molecular weight of 445.55 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6-phenyl-2-(4-propan-2-ylphenyl)sulfanyl-5H-imidazo[1,2-a]purin-9-one is sourced from PubChem (CID 139523346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).