2-((4,5-dichloro-1H-imidazol-1-yl)methyl)-4-methoxy-3,5-dimethylpyridine|2-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methoxy-3,5-dimethylpyridine|2-[(4,5-dichloroimidazol-1-yl)methyl]-4-methoxy-3,5-...

General Information

Structure

Molecular Formula

C₁₂H₁₃Cl₂N₃O

Molecular Mass

286.15712

Exact Mass

285.04356741

Charge

InChI

InChI=1S/C12H13Cl2N3O/c1-7-4-15-9(8(2)10(7)18-3)5-17-6-16-11(13)12(17)14/h4,6H,5H2,1-3H3

InChIKey

OBNQCYDZLXLDRW-UHFFFAOYSA-N

Canonic Smiles

COc1c(C)cnc(c1C)Cn1cnc(c1Cl)Cl

Isomeric Smiles

n1(c(c(nc1)Cl)Cl)Cc1c(c(c(cn1)C)OC)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.3971881

LogD (pH = 7.4)

2.4588811

Log P

2.6791732

Molar Refractivity

73.0606

Polarizability

27.591394

Polar Surface Area

39.94

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

2-((4,5-dichloro-1H-imidazol-1-yl)methyl)-4-methoxy-3,5-dimethylpyridine

IUPAC name

2-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methoxy-3,5-dimethylpyridine

IUPAC Traditional name

2-[(4,5-dichloroimidazol-1-yl)methyl]-4-methoxy-3,5-dimethylpyridine

Names and Identifiers

Registration numbers

PubChem CID

49651915

PubChem SID

162218253

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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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:123900