6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine

C15H13ClN2S — CID 155931585

IUPAC6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine
SMILESClc1ccc2ncc(SCCc3ccccc3)n2c1
InChIInChI=1S/C15H13ClN2S/c16-13-6-7-14-17-10-15(18(14)11-13)19-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2
InChIKeyCDKIGLGAGHBZIW-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.32
Rot. Bonds4

About 6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine

6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine (PubChem CID 155931585) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine
PubChem CID155931585
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine
SMILESClc1ccc2ncc(SCCc3ccccc3)n2c1
InChIInChI=1S/C15H13ClN2S/c16-13-6-7-14-17-10-15(18(14)11-13)19-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2
InChIKeyCDKIGLGAGHBZIW-UHFFFAOYSA-N
XLogP4.32
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzylsulfanyl-6-fluoroimidazo[1,2-a]pyridine
CID 154706945
6-chloro-3-fluoroimidazo[1,2-a]pyridine
CID 138109250
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 42783664
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 4611202
1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
CID 4227777
2-[2-(4-chlorophenyl)ethylsulfanyl]aniline
CID 101473757
N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
CID 115641531
3-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 82507970
1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 155987017
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 42783658
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 42783657
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4571894

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine (CID 155931585) is 6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine is Clc1ccc2ncc(SCCc3ccccc3)n2c1.
What is the InChIKey of 6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine?
The InChIKey is CDKIGLGAGHBZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c16-13-6-7-14-17-10-15(18(14)11-13)19-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2.
What are the key properties of 6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine?
6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine has a molecular weight of 288.80 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-phenylethylsulfanyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 155931585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).