2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride

C14H14ClN3S2 — CID 159693643

IUPAC2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride
SMILESCSc1ccc(-c2nc3ncccc3[nH]2)c(SC)c1.Cl
InChIInChI=1S/C14H13N3S2.ClH/c1-18-9-5-6-10(12(8-9)19-2)13-16-11-4-3-7-15-14(11)17-13;/h3-8H,1-2H3,(H,15,16,17);1H
InChIKeyMWSNCBKGIBMOLP-UHFFFAOYSA-N
MW323.87 g/mol
LogP4.49
Rot. Bonds3

About 2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride

2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride (PubChem CID 159693643) has the molecular formula C14H14ClN3S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride
PubChem CID159693643
Molecular FormulaC14H14ClN3S2
Molecular Weight323.87 g/mol
Exact Mass323.03
IUPAC Name2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride
SMILESCSc1ccc(-c2nc3ncccc3[nH]2)c(SC)c1.Cl
InChIInChI=1S/C14H13N3S2.ClH/c1-18-9-5-6-10(12(8-9)19-2)13-16-11-4-3-7-15-14(11)17-13;/h3-8H,1-2H3,(H,15,16,17);1H
InChIKeyMWSNCBKGIBMOLP-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride 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-(5-fluoro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 55144799
2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 82883627
2-[2,4-bis(methylsulfanyl)phenyl]pyridine
CID 134966043
2-(4-bromo-2-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 113296104
2-(3-propan-2-yloxynaphthalen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 13304825
2-(2,4,6-trifluorophenyl)-1H-imidazo[4,5-b]pyridine
CID 65100220
6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine
CID 14762716
2-(5-fluoro-2-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 104639107
2-(4,6-dimethoxy-3-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 14369069
2-(5-fluoro-3-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 104786090
2-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)phenol
CID 136712580
2-[4-[(2-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 70957023

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride?
The IUPAC name of 2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride (CID 159693643) is 2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride is CSc1ccc(-c2nc3ncccc3[nH]2)c(SC)c1.Cl.
What is the InChIKey of 2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride?
The InChIKey is MWSNCBKGIBMOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2.ClH/c1-18-9-5-6-10(12(8-9)19-2)13-16-11-4-3-7-15-14(11)17-13;/h3-8H,1-2H3,(H,15,16,17);1H.
What are the key properties of 2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride?
2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride has a molecular weight of 323.87 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(methylsulfanyl)phenyl]-1H-imidazo[4,5-b]pyridine;hydrochloride is sourced from PubChem (CID 159693643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).