3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine

C16H15ClN2S — CID 512358

IUPAC3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine
SMILESCc1ccn2c(CSCc3ccccc3Cl)cnc2c1
InChIInChI=1S/C16H15ClN2S/c1-12-6-7-19-14(9-18-16(19)8-12)11-20-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3
InChIKeyLQRDJINEFMGQEG-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.73
Rot. Bonds4

About 3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine

3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine (PubChem CID 512358) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine
PubChem CID512358
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine
SMILESCc1ccn2c(CSCc3ccccc3Cl)cnc2c1
InChIInChI=1S/C16H15ClN2S/c1-12-6-7-19-14(9-18-16(19)8-12)11-20-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3
InChIKeyLQRDJINEFMGQEG-UHFFFAOYSA-N
XLogP4.73
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine
CID 511741
1-(2-chlorophenyl)-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]ethanol
CID 111467156
N-methyl-1-(7-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 55264135
N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]butan-2-amine
CID 115651305
N'-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912860
7-chloro-3-[(2-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256505
7-chloro-3-ethylimidazo[1,2-a]pyridine;ethane
CID 143907992
2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine
CID 103288225
3-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117256587
[3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]phenyl]methanol
CID 99834879
(2S)-2-methyl-2-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pentan-1-ol
CID 96524708
3-[(2-chlorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-amine
CID 2473006

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine (CID 512358) is 3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine is Cc1ccn2c(CSCc3ccccc3Cl)cnc2c1.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine?
The InChIKey is LQRDJINEFMGQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-12-6-7-19-14(9-18-16(19)8-12)11-20-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine?
3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine has a molecular weight of 302.83 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfanylmethyl]-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 512358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).