3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine

C22H21N3S — CID 20890837

IUPAC3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
SMILESCc1cccc(Cn2c(SCc3ccccc3C)nc3ccncc32)c1
InChIInChI=1S/C22H21N3S/c1-16-6-5-8-18(12-16)14-25-21-13-23-11-10-20(21)24-22(25)26-15-19-9-4-3-7-17(19)2/h3-13H,14-15H2,1-2H3
InChIKeyUETFUSLBYPTDNY-UHFFFAOYSA-N
MW359.50 g/mol
LogP5.39
Rot. Bonds5

About 3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine

3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine (PubChem CID 20890837) has the molecular formula C22H21N3S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
PubChem CID20890837
Molecular FormulaC22H21N3S
Molecular Weight359.50 g/mol
Exact Mass359.15
IUPAC Name3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
SMILESCc1cccc(Cn2c(SCc3ccccc3C)nc3ccncc32)c1
InChIInChI=1S/C22H21N3S/c1-16-6-5-8-18(12-16)14-25-21-13-23-11-10-20(21)24-22(25)26-15-19-9-4-3-7-17(19)2/h3-13H,14-15H2,1-2H3
InChIKeyUETFUSLBYPTDNY-UHFFFAOYSA-N
XLogP5.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.50
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylphenyl)methylsulfanyl]-3-[(2,4,6-trimethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890865
3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20890697
2-[(3-chlorophenyl)methylsulfanyl]-3-[(3-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890877
N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891329
N-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891238
2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890588
4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 20890783
N-[(4-ethylphenyl)methyl]-4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20886971
N-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891312
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(2,5-dimethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890946
N-(furan-2-ylmethyl)-4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20891000
N-[(4-fluorophenyl)methyl]-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891229

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine (CID 20890837) is 3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine is Cc1cccc(Cn2c(SCc3ccccc3C)nc3ccncc32)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The InChIKey is UETFUSLBYPTDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3S/c1-16-6-5-8-18(12-16)14-25-21-13-23-11-10-20(21)24-22(25)26-15-19-9-4-3-7-17(19)2/h3-13H,14-15H2,1-2H3.
What are the key properties of 3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine has a molecular weight of 359.50 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 20890837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).