4-(2,3,4-trimethoxyphenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride|4-(2,3,4-trimethoxyphenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine dihydrochloride|4-(2,3,4-trimethoxyphenyl)-4,5,6,7-t...

General Information

Structure

Molecular Formula

C₁₅H₂₁Cl₂N₃O₃

Molecular Mass

362.25154

Exact Mass

361.09599691

Charge

InChI

InChI=1S/C15H19N3O3.2ClH/c1-19-11-5-4-9(14(20-2)15(11)21-3)12-13-10(6-7-16-12)17-8-18-13;;/h4-5,8,12,16H,6-7H2,1-3H3,(H,17,18);2*1H

InChIKey

PBFDQPNCPYQLRK-UHFFFAOYSA-N

Canonic Smiles

COc1c(OC)c(OC)ccc1C1NCCc2c1[nH]cn2.Cl.Cl

Isomeric Smiles

c12C(c3c(c(c(cc3)OC)OC)OC)NCCc1nc[nH]2.Cl.Cl

Calculated Properties

JChem

Acid pKa

13.557903

H Acceptors

H Donor

LogD (pH = 5.5)

-0.9175169

LogD (pH = 7.4)

0.5451216

Log P

0.71406406

Molar Refractivity

78.5425

Polarizability

30.54146

Polar Surface Area

68.4

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

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

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

PubChem CID

45371262

PubChem SID

162108138

Registration numbers

Properties

Product Information

Salt Data

2 HCl

Classification

Derivatives & analogs of Natural Compounds

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:119837