1-methyl-2-(2-phenylethyl)-1,3-benzodiazol-5-amine dihydrochloride|1-methyl-2-phenethyl-1H-benzo[d]imidazol-5-amine dihydrochloride|1-methyl-2-(2-phenylethyl)-1H-1,3-benzodiazol-5-amine dihydrochlor...

General Information

Structure

Molecular Formula

C₁₆H₁₉Cl₂N₃

Molecular Mass

324.24816

Exact Mass

323.09560298

Charge

InChI

InChI=1S/C16H17N3.2ClH/c1-19-15-9-8-13(17)11-14(15)18-16(19)10-7-12-5-3-2-4-6-12;;/h2-6,8-9,11H,7,10,17H2,1H3;2*1H

InChIKey

XBYNNCVQEHSBAX-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc2c(c1)nc(n2C)CCc1ccccc1.Cl.Cl

Isomeric Smiles

n1c(n(c2c1cc(cc2)N)C)CCc1ccccc1.Cl.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.7147393

LogD (pH = 7.4)

2.694488

Log P

3.0562272

Molar Refractivity

78.3292

Polarizability

30.734343

Polar Surface Area

43.84

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

1-methyl-2-(2-phenylethyl)-1,3-benzodiazol-5-amine dihydrochloride

Synonyms

1-methyl-2-phenethyl-1H-benzo[d]imidazol-5-amine dihydrochloride

IUPAC name

1-methyl-2-(2-phenylethyl)-1H-1,3-benzodiazol-5-amine dihydrochloride

Names and Identifiers

Registration numbers

PubChem SID

162217143

PubChem CID

45370150

Registration numbers

Properties

Product Information

Salt Data

2 HCl

Properties

Related Proteins

No Data Available

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:122790