2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

C14H13N3S — CID 571253

IUPAC2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc(CSc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C14H13N3S/c1-10-4-6-11(7-5-10)9-18-14-16-12-3-2-8-15-13(12)17-14/h2-8H,9H2,1H3,(H,15,16,17)
InChIKeyZLFAAJPGZNLASR-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.56
Rot. Bonds3

About 2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine

2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 571253) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
PubChem CID571253
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc(CSc2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C14H13N3S/c1-10-4-6-11(7-5-10)9-18-14-16-12-3-2-8-15-13(12)17-14/h2-8H,9H2,1H3,(H,15,16,17)
InChIKeyZLFAAJPGZNLASR-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634
FR-79620
CID 10421577
6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 3012527
2-Benzylthiobenzimidazole
CID 416770
2-(5-Ethyl-2-pyridyl)benzimidazole
CID 49746
Timoprazole
CID 72171
{4-[5-(4-Fluoro-phenyl)-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-(1-phenyl-ethyl)-amine
CID 10862355
Disuprazole
CID 65861
ML-3403
CID 6419739
6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538774

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine (CID 571253) is 2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is Cc1ccc(CSc2nc3ncccc3[nH]2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZLFAAJPGZNLASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-4-6-11(7-5-10)9-18-14-16-12-3-2-8-15-13(12)17-14/h2-8H,9H2,1H3,(H,15,16,17).
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine?
2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 255.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 571253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).