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

C22H20ClN3S — CID 20890697

IUPAC3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
SMILESCc1ccc(C)c(CSc2nc3ccncc3n2Cc2cccc(Cl)c2)c1
InChIInChI=1S/C22H20ClN3S/c1-15-6-7-16(2)18(10-15)14-27-22-25-20-8-9-24-12-21(20)26(22)13-17-4-3-5-19(23)11-17/h3-12H,13-14H2,1-2H3
InChIKeySXWYBFXTVVHJDK-UHFFFAOYSA-N
MW393.94 g/mol
LogP6.04
Rot. Bonds5

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

3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine (PubChem CID 20890697) has the molecular formula C22H20ClN3S and a molecular weight of 393.94 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
PubChem CID20890697
Molecular FormulaC22H20ClN3S
Molecular Weight393.94 g/mol
Exact Mass393.11
IUPAC Name3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
SMILESCc1ccc(C)c(CSc2nc3ccncc3n2Cc2cccc(Cl)c2)c1
InChIInChI=1S/C22H20ClN3S/c1-15-6-7-16(2)18(10-15)14-27-22-25-20-8-9-24-12-21(20)26(22)13-17-4-3-5-19(23)11-17/h3-12H,13-14H2,1-2H3
InChIKeySXWYBFXTVVHJDK-UHFFFAOYSA-N
XLogP6.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.94
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-3-[(3-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890877
3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20890837
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(2,5-dimethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890946
2-[(3-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890588
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3-ethylphenyl)acetamide
CID 20890686
2-[(2-methylphenyl)methylsulfanyl]-3-[(2,4,6-trimethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890865
2-[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(3,4-dimethylphenyl)acetamide
CID 20890883
4-[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 46288321
N-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891238
N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891329
4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46288282
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 44594795

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine (CID 20890697) is 3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine is Cc1ccc(C)c(CSc2nc3ccncc3n2Cc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The InChIKey is SXWYBFXTVVHJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3S/c1-15-6-7-16(2)18(10-15)14-27-22-25-20-8-9-24-12-21(20)26(22)13-17-4-3-5-19(23)11-17/h3-12H,13-14H2,1-2H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine has a molecular weight of 393.94 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 20890697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).