4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine

C22H26N4O2S — CID 10525635

IUPAC4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
SMILESCS(=O)c1cccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)c1
InChIInChI=1S/C22H26N4O2S/c1-29(27)20-5-2-4-19(16-20)21-22(18-6-8-23-9-7-18)26(17-24-21)11-3-10-25-12-14-28-15-13-25/h2,4-9,16-17H,3,10-15H2,1H3
InChIKeyWKTZAGLAZDOZBH-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.07
Rot. Bonds7

About 4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine

4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine (PubChem CID 10525635) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
PubChem CID10525635
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
SMILESCS(=O)c1cccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)c1
InChIInChI=1S/C22H26N4O2S/c1-29(27)20-5-2-4-19(16-20)21-22(18-6-8-23-9-7-18)26(17-24-21)11-3-10-25-12-14-28-15-13-25/h2,4-9,16-17H,3,10-15H2,1H3
InChIKeyWKTZAGLAZDOZBH-UHFFFAOYSA-N
XLogP3.07
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine (CID 10525635) is 4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine is CS(=O)c1cccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)c1.
What is the InChIKey of 4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The InChIKey is WKTZAGLAZDOZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-29(27)20-5-2-4-19(16-20)21-22(18-6-8-23-9-7-18)26(17-24-21)11-3-10-25-12-14-28-15-13-25/h2,4-9,16-17H,3,10-15H2,1H3.
What are the key properties of 4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine has a molecular weight of 410.54 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3-methylsulfinylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 10525635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).