2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine

C16H16N2S — CID 84603021

IUPAC2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccccc1CSCc1cn2ccccc2n1
InChIInChI=1S/C16H16N2S/c1-13-6-2-3-7-14(13)11-19-12-15-10-18-9-5-4-8-16(18)17-15/h2-10H,11-12H2,1H3
InChIKeyXVNLCWNKGIDLDY-UHFFFAOYSA-N
MW268.39 g/mol
LogP4.08
Rot. Bonds4

About 2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine

2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 84603021) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID84603021
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC Name2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccccc1CSCc1cn2ccccc2n1
InChIInChI=1S/C16H16N2S/c1-13-6-2-3-7-14(13)11-19-12-15-10-18-9-5-4-8-16(18)17-15/h2-10H,11-12H2,1H3
InChIKeyXVNLCWNKGIDLDY-UHFFFAOYSA-N
XLogP4.08
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 31405985
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19729814
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17307793
imidazo[1,2-a]pyridin-2-ylmethylazanium
CID 7012186
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine
CID 59380864
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 4175552
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 7250194
[6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
CID 79233187
N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 4701920
N-[(2-fluorophenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)propanamide
CID 18152499

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine (CID 84603021) is 2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine is Cc1ccccc1CSCc1cn2ccccc2n1.
What is the InChIKey of 2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is XVNLCWNKGIDLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-13-6-2-3-7-14(13)11-19-12-15-10-18-9-5-4-8-16(18)17-15/h2-10H,11-12H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine?
2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 268.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 84603021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).