3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol

C13H18ClN3OS — CID 111449659

IUPAC3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol
SMILESCSCC(CCO)NCc1c(Cl)nc2ccccn12
InChIInChI=1S/C13H18ClN3OS/c1-19-9-10(5-7-18)15-8-11-13(14)16-12-4-2-3-6-17(11)12/h2-4,6,10,15,18H,5,7-9H2,1H3
InChIKeyLZCJZIKWXBKQCV-UHFFFAOYSA-N
MW299.83 g/mol
LogP2.19
Rot. Bonds7

About 3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol

3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol (PubChem CID 111449659) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol
PubChem CID111449659
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol
SMILESCSCC(CCO)NCc1c(Cl)nc2ccccn12
InChIInChI=1S/C13H18ClN3OS/c1-19-9-10(5-7-18)15-8-11-13(14)16-12-4-2-3-6-17(11)12/h2-4,6,10,15,18H,5,7-9H2,1H3
InChIKeyLZCJZIKWXBKQCV-UHFFFAOYSA-N
XLogP2.19
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 115591883
3-[(1-methylpyrrol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 111449623
3-(ethylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol
CID 64927159
3-(1-benzothiophen-3-ylmethylamino)-4-methylsulfanylbutan-1-ol
CID 111449640
2-[[5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379842
1-(2-chlorophenyl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 43767340
3-[[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 111467503
2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
CID 111469544
N-methyl-1-(2-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 63814200
2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 83177884
N-[[2-(2-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]ethanamine
CID 63806480
N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine
CID 107761569

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol (CID 111449659) is 3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol is CSCC(CCO)NCc1c(Cl)nc2ccccn12.
What is the InChIKey of 3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol?
The InChIKey is LZCJZIKWXBKQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS/c1-19-9-10(5-7-18)15-8-11-13(14)16-12-4-2-3-6-17(11)12/h2-4,6,10,15,18H,5,7-9H2,1H3.
What are the key properties of 3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol?
3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol has a molecular weight of 299.83 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 111449659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).