2-(4,5-dichloroimidazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone|2-(4,5-dichloro-1H-imidazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone|2-(4,5-dichloro-1H-imidazol-1-yl)-1-(4-methylpiperazin-1-yl)etha...

General Information

Structure

Molecular Formula

C₁₀H₁₄Cl₂N₄O

Molecular Mass

277.15036

Exact Mass

276.05446645

Charge

InChI

InChI=1S/C10H14Cl2N4O/c1-14-2-4-15(5-3-14)8(17)6-16-7-13-9(11)10(16)12/h7H,2-6H2,1H3

InChIKey

VHMCYZNFGIWQMH-UHFFFAOYSA-N

Canonic Smiles

CN1CCN(CC1)C(=O)Cn1cnc(c1Cl)Cl

Isomeric Smiles

n1(c(c(nc1)Cl)Cl)CC(=O)N1CCN(CC1)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.2868948

LogD (pH = 7.4)

0.0522331

Log P

0.18724145

Molar Refractivity

68.3318

Polarizability

26.031624

Polar Surface Area

41.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2-(4,5-dichloroimidazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

Synonyms

2-(4,5-dichloro-1H-imidazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

IUPAC name

2-(4,5-dichloro-1H-imidazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one

Names and Identifiers

Registration numbers

PubChem CID

49651974

PubChem SID

162218461

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:124108