4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione

C19H20N4O2S — CID 91052507

IUPAC4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione
SMILESCc1c(O)n(-c2cccnc2)c(=S)n1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20N4O2S/c1-14-18(24)23(17-3-2-8-20-13-17)19(26)22(14)16-6-4-15(5-7-16)21-9-11-25-12-10-21/h2-8,13,24H,9-12H2,1H3
InChIKeyJDILQZQSWRJVEN-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.24
Rot. Bonds3

About 4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione

4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione (PubChem CID 91052507) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione
PubChem CID91052507
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione
SMILESCc1c(O)n(-c2cccnc2)c(=S)n1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20N4O2S/c1-14-18(24)23(17-3-2-8-20-13-17)19(26)22(14)16-6-4-15(5-7-16)21-9-11-25-12-10-21/h2-8,13,24H,9-12H2,1H3
InChIKeyJDILQZQSWRJVEN-UHFFFAOYSA-N
XLogP3.24
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.24
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

1-(4-ethoxyphenyl)-5-hydroxy-4-methyl-3-(4-morpholin-4-ylphenyl)imidazole-2-thione
CID 91040818
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-hydroxy-5-methyl-3-phenylimidazole-2-thione
CID 91390223
methyl 2-[(2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 56523072
(1R)-1-(4-morpholin-4-ylphenyl)-1-pyridin-3-ylethanol
CID 171485644
bis(1,3-dipyridin-3-yl-2-sulfanylideneimidazole-4,5-dithiolate);platinum(4+)
CID 140616809
6-methoxy-2-morpholin-4-yl-1-pyridin-3-ylbenzimidazole-5-carboxamide
CID 70659597
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
ethane;1-methyl-4-pyridin-3-ylpiperazine
CID 144911309
N-(4-morpholin-4-ylphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2540246
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]azanium;hydroxide;hydrate
CID 159789123

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione?
The IUPAC name of 4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione (CID 91052507) is 4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione?
The canonical SMILES for 4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione is Cc1c(O)n(-c2cccnc2)c(=S)n1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione?
The InChIKey is JDILQZQSWRJVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-14-18(24)23(17-3-2-8-20-13-17)19(26)22(14)16-6-4-15(5-7-16)21-9-11-25-12-10-21/h2-8,13,24H,9-12H2,1H3.
What are the key properties of 4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione?
4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione has a molecular weight of 368.46 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-1-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylimidazole-2-thione is sourced from PubChem (CID 91052507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).