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1196147-13-3 molecular structure
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2-(chloromethyl)-1,5-dimethyl-1H-imidazole

ChemBase ID: 814407
Molecular Formular: C6H9ClN2
Molecular Mass: 144.60206
Monoisotopic Mass: 144.04542598
SMILES and InChIs

SMILES:
n1(c(ncc1C)CCl)C
Canonical SMILES:
Cn1c(CCl)ncc1C
InChI:
InChI=1S/C6H9ClN2/c1-5-4-8-6(3-7)9(5)2/h4H,3H2,1-2H3
InChIKey:
VSWAFANERFYXAN-UHFFFAOYSA-N

Cite this record

CBID:814407 http://www.chembase.cn/molecule-814407.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(chloromethyl)-1,5-dimethyl-1H-imidazole
IUPAC Traditional name
2-(chloromethyl)-1,5-dimethylimidazole
Synonyms
2-(chloromethyl)-1,5-dimethyl-1H-imidazole
CAS Number
1196147-13-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36571 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36571 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.11953924  LogD (pH = 7.4) 0.8803463 
Log P 0.9384217  Molar Refractivity 38.2531 cm3
Polarizability 14.350711 Å3 Polar Surface Area 17.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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