4-(2,3-Dichlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine|4-(2,3-dichlorophenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine|4-(2,3-dichlorophenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

General Information

Structure

Molecular Formula

C₁₂H₁₁Cl₂N₃

Molecular Mass

268.14184

Exact Mass

267.03300273

Charge

InChI

InChI=1S/C12H11Cl2N3/c13-8-3-1-2-7(10(8)14)11-12-9(4-5-15-11)16-6-17-12/h1-3,6,11,15H,4-5H2,(H,16,17)

InChIKey

LUTMJVYTDHJUIF-UHFFFAOYSA-N

Canonic Smiles

Clc1cccc(c1Cl)C1NCCc2c1[nH]cn2

Isomeric Smiles

c12C(c3c(c(Cl)ccc3)Cl)NCCc1nc[nH]2

Calculated Properties

JChem

Acid pKa

13.558843

H Acceptors

H Donor

LogD (pH = 5.5)

0.8356759

LogD (pH = 7.4)

2.2522702

Log P

2.395167

Molar Refractivity

68.7625

Polarizability

26.761961

Polar Surface Area

40.71

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

4-(2,3-Dichlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

IUPAC Traditional name

4-(2,3-dichlorophenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

IUPAC name

4-(2,3-dichlorophenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

Names and Identifiers

Registration numbers

MDL Number

MFCD09996849

PubChem CID

42648454

PubChem SID

162064752

Registration numbers

Properties

Safety Information

Storage Warning

IRRITANT

TSCA Listed

false

MSDS Link

Download link

Properties

Related Proteins

No Data Available

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Molecular Spectra

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:59989