2-(1-butylimidazol-2-yl)sulfanylpyridine

C12H15N3S — CID 162419918

IUPAC2-(1-butylimidazol-2-yl)sulfanylpyridine
SMILESCCCCn1ccnc1Sc1ccccn1
InChIInChI=1S/C12H15N3S/c1-2-3-9-15-10-8-14-12(15)16-11-6-4-5-7-13-11/h4-8,10H,2-3,9H2,1H3
InChIKeyDXTGIFOXSSBRLA-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.23
Rot. Bonds5

About 2-(1-butylimidazol-2-yl)sulfanylpyridine

2-(1-butylimidazol-2-yl)sulfanylpyridine (PubChem CID 162419918) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(1-butylimidazol-2-yl)sulfanylpyridine.

Molecular Properties

Compound Name2-(1-butylimidazol-2-yl)sulfanylpyridine
PubChem CID162419918
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-(1-butylimidazol-2-yl)sulfanylpyridine
SMILESCCCCn1ccnc1Sc1ccccn1
InChIInChI=1S/C12H15N3S/c1-2-3-9-15-10-8-14-12(15)16-11-6-4-5-7-13-11/h4-8,10H,2-3,9H2,1H3
InChIKeyDXTGIFOXSSBRLA-UHFFFAOYSA-N
XLogP3.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4098
Methapyrilene Hydrochloride
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3-(2-Methyl-1H-imidazol-1-yl)pyridine
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3-(1H-Imidazol-1-yl)pyridine
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4-[(2-Methyl-1H-imidazol-1-yl)methyl]pyridine
CID 52949342
3-(5-methyl-1H-imidazol-1-yl)pyridine
CID 23646070
2-((Pyridin-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
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2-{[2-(1H-Imidazol-4-yl)ethyl]thio}pyridine
CID 10398042
4-((1H-imidazol-1-yl)methyl)pyridine
CID 14424120
3-(1-Imidazolylmethyl)pyridine
CID 16654684
3-(4-Methyl-imidazol-1-yl)-pyridine
CID 44388612
2-(2-Methylimidazol-1-ylmethyl)pyridine
CID 10313324

Frequently Asked Questions

What is the IUPAC name of 2-(1-butylimidazol-2-yl)sulfanylpyridine?
The IUPAC name of 2-(1-butylimidazol-2-yl)sulfanylpyridine (CID 162419918) is 2-(1-butylimidazol-2-yl)sulfanylpyridine.
What is the SMILES notation for 2-(1-butylimidazol-2-yl)sulfanylpyridine?
The canonical SMILES for 2-(1-butylimidazol-2-yl)sulfanylpyridine is CCCCn1ccnc1Sc1ccccn1.
What is the InChIKey of 2-(1-butylimidazol-2-yl)sulfanylpyridine?
The InChIKey is DXTGIFOXSSBRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-3-9-15-10-8-14-12(15)16-11-6-4-5-7-13-11/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 2-(1-butylimidazol-2-yl)sulfanylpyridine?
2-(1-butylimidazol-2-yl)sulfanylpyridine has a molecular weight of 233.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylimidazol-2-yl)sulfanylpyridine is sourced from PubChem (CID 162419918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).