2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine

C16H15N3OS — CID 122142925

IUPAC2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine
SMILESc1ccc(COc2ccc(CSc3ncc[nH]3)cc2)nc1
InChIInChI=1S/C16H15N3OS/c1-2-8-17-14(3-1)11-20-15-6-4-13(5-7-15)12-21-16-18-9-10-19-16/h1-10H,11-12H2,(H,18,19)
InChIKeyJDGZUUROMHRTOY-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.68
Rot. Bonds6

About 2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine

2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine (PubChem CID 122142925) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine
PubChem CID122142925
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine
SMILESc1ccc(COc2ccc(CSc3ncc[nH]3)cc2)nc1
InChIInChI=1S/C16H15N3OS/c1-2-8-17-14(3-1)11-20-15-6-4-13(5-7-15)12-21-16-18-9-10-19-16/h1-10H,11-12H2,(H,18,19)
InChIKeyJDGZUUROMHRTOY-UHFFFAOYSA-N
XLogP3.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]phenoxy]methyl]pyridine
CID 60585882
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
2-methyl-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]propan-1-ol
CID 111463900
2-[(4-methylphenoxy)methyl]-5-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 47774160
2-[(4-ethenylphenyl)methylsulfanyl]-1H-imidazole
CID 140963022
3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 47772864
2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane
CID 58868338
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine
CID 117095285
N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 24703645
5,7-dimethyl-3-[[4-(pyridin-2-ylmethoxy)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 47074009
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine?
The IUPAC name of 2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine (CID 122142925) is 2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine is c1ccc(COc2ccc(CSc3ncc[nH]3)cc2)nc1.
What is the InChIKey of 2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine?
The InChIKey is JDGZUUROMHRTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-2-8-17-14(3-1)11-20-15-6-4-13(5-7-15)12-21-16-18-9-10-19-16/h1-10H,11-12H2,(H,18,19).
What are the key properties of 2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine?
2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine has a molecular weight of 297.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1H-imidazol-2-ylsulfanylmethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 122142925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).