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1-Methylimidazole

CAT: 0013-GTR19176922-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19176922-01Size:10 g
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Description
1-Methylimidazole is a metabolite of the antithyroid drug methimazole. This small molecule has been studied for its inhibitory effect on osteoclast-mediated bone resorption in cellular and animal models, making it relevant for bone metabolism research.
CAS Number
616-47-7
Product Name Alternative
1 Methylimidazole, 1Methylimidazole, 1-Methylimidazole
Purity
98.21% (May vary between batches)
Solubility
DMSO:45 mg/mL (548.11 mM)
Smiles
CN1C=CN=C1
Molecular Formula
C4H6N2
Molecular Weight
82.10
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Methylimidazole

1-methyl-1H-imidazole is a 1H-imidazole having a methyl substituent at the N-1 position.

CAS Number616-47-7
PubChem CID1390
IUPAC Name1-methylimidazole
Molecular FormulaC4H6N2
Molecular Weight82.10
XLogP-0.1
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity44
SMILES
CN1C=CN=C1
InChI
InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
InChIKey
MCTWTZJPVLRJOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methylimidazole
CAS: 616-47-7
CID: 1390
Formula: C4H6N2
MW: 82.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight82.10
XLogP3-0.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass82.053098200
Monoisotopic Mass82.053098200
Topological Polar Surface Area17.8 Ų
Heavy Atom Count6
Formal Charge0
Complexity44.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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