1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione

C22H25N3O3S — CID 91040818

IUPAC1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione
SMILESCCOc1ccc(-n2c(O)c(C)n(-c3ccc(N4CCOCC4)cc3)c2=S)cc1
InChIInChI=1S/C22H25N3O3S/c1-3-28-20-10-8-19(9-11-20)25-21(26)16(2)24(22(25)29)18-6-4-17(5-7-18)23-12-14-27-15-13-23/h4-11,26H,3,12-15H2,1-2H3
InChIKeyVKDZOIUYXCNCHI-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.25
Rot. Bonds5

About 1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione

1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione (PubChem CID 91040818) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione
PubChem CID91040818
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione
SMILESCCOc1ccc(-n2c(O)c(C)n(-c3ccc(N4CCOCC4)cc3)c2=S)cc1
InChIInChI=1S/C22H25N3O3S/c1-3-28-20-10-8-19(9-11-20)25-21(26)16(2)24(22(25)29)18-6-4-17(5-7-18)23-12-14-27-15-13-23/h4-11,26H,3,12-15H2,1-2H3
InChIKeyVKDZOIUYXCNCHI-UHFFFAOYSA-N
XLogP4.25
TPSA51.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione
CID 91052507
1-(4-ethoxyphenyl)-6-hydroxy-5-[(E)-morpholin-4-yliminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 135485078
4-hydroxy-5-methyl-1-(4-phenoxyphenyl)-3-phenylimidazole-2-thione
CID 91321923
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276
N,N-dimethyl-2-(4-morpholin-4-ylphenoxy)ethanamine
CID 82538142
1,3-bis(4-ethoxyphenyl)-5-(2-morpholin-4-ylethyl)-1,3,5-triazinane-2-thione
CID 4890543
2-(4-ethoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 53267110
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
2-[(4-ethoxyphenyl)sulfonylamino]-5-morpholin-4-ylbenzoic acid
CID 46325373
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 16585934
3-(4-ethoxyphenyl)-1-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110547822
[1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone
CID 23611477

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione?
The IUPAC name of 1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione (CID 91040818) is 1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione is CCOc1ccc(-n2c(O)c(C)n(-c3ccc(N4CCOCC4)cc3)c2=S)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione?
The InChIKey is VKDZOIUYXCNCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-3-28-20-10-8-19(9-11-20)25-21(26)16(2)24(22(25)29)18-6-4-17(5-7-18)23-12-14-27-15-13-23/h4-11,26H,3,12-15H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione?
1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione has a molecular weight of 411.53 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione is sourced from PubChem (CID 91040818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).