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

C22H26N4OS — CID 10572721

IUPAC4-[3-[4-(3-methylsulfanylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
SMILESCSc1cccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)c1
InChIInChI=1S/C22H26N4OS/c1-28-20-5-2-4-19(16-20)21-22(18-6-8-23-9-7-18)26(17-24-21)11-3-10-25-12-14-27-15-13-25/h2,4-9,16-17H,3,10-15H2,1H3
InChIKeyMFWRRYPZURQIQM-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.06
Rot. Bonds7

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

4-[3-[4-(3-methylsulfanylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine (PubChem CID 10572721) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 4-[3-[4-(3-methylsulfanylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(3-methylsulfanylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
PubChem CID10572721
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name4-[3-[4-(3-methylsulfanylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
SMILESCSc1cccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)c1
InChIInChI=1S/C22H26N4OS/c1-28-20-5-2-4-19(16-20)21-22(18-6-8-23-9-7-18)26(17-24-21)11-3-10-25-12-14-27-15-13-25/h2,4-9,16-17H,3,10-15H2,1H3
InChIKeyMFWRRYPZURQIQM-UHFFFAOYSA-N
XLogP4.06
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.06
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-methylsulfanylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(3-methylsulfanylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine (CID 10572721) is 4-[3-[4-(3-methylsulfanylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(3-methylsulfanylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(3-methylsulfanylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine is CSc1cccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)c1.
What is the InChIKey of 4-[3-[4-(3-methylsulfanylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The InChIKey is MFWRRYPZURQIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-28-20-5-2-4-19(16-20)21-22(18-6-8-23-9-7-18)26(17-24-21)11-3-10-25-12-14-27-15-13-25/h2,4-9,16-17H,3,10-15H2,1H3.
What are the key properties of 4-[3-[4-(3-methylsulfanylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
4-[3-[4-(3-methylsulfanylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine has a molecular weight of 394.54 g/mol, XLogP of 4.06, 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-methylsulfanylphenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 10572721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).