4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine

C18H20N4OS — CID 14894180

IUPAC4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine
SMILESc1ccc(CSc2nc3ccccc3n2CN2CCOCC2)nc1
InChIInChI=1S/C18H20N4OS/c1-2-7-17-16(6-1)20-18(24-13-15-5-3-4-8-19-15)22(17)14-21-9-11-23-12-10-21/h1-8H,9-14H2
InChIKeyGUJHEYFHMFIEOH-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.01
Rot. Bonds5

About 4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine

4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine (PubChem CID 14894180) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine
PubChem CID14894180
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine
SMILESc1ccc(CSc2nc3ccccc3n2CN2CCOCC2)nc1
InChIInChI=1S/C18H20N4OS/c1-2-7-17-16(6-1)20-18(24-13-15-5-3-4-8-19-15)22(17)14-21-9-11-23-12-10-21/h1-8H,9-14H2
InChIKeyGUJHEYFHMFIEOH-UHFFFAOYSA-N
XLogP3.01
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine (CID 14894180) is 4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine is c1ccc(CSc2nc3ccccc3n2CN2CCOCC2)nc1.
What is the InChIKey of 4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine?
The InChIKey is GUJHEYFHMFIEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-2-7-17-16(6-1)20-18(24-13-15-5-3-4-8-19-15)22(17)14-21-9-11-23-12-10-21/h1-8H,9-14H2.
What are the key properties of 4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine?
4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine has a molecular weight of 340.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]methyl]morpholine is sourced from PubChem (CID 14894180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).