4 (5) -Methylimidazole

CAT: 0024-sc-239011Size: 50 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-239011Size:50 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

822-36-6

Chemical Information

4-Methylimidazole

4-Methylimidazole can cause cancer according to The National Toxicology Program.

CAS Number	822-36-6
PubChem CID	13195
IUPAC Name	5-methyl-1H-imidazole
Molecular Formula	C4H6N2
Molecular Weight	82.10
XLogP	0.2
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	44

SMILES

CC1=CN=CN1

InChI

InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)

InChIKey

XLSZMDLNRCVEIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 822-36-6

CID: 13195

Formula: C4H6N2

MW: 82.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	82.10
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	82.053098200
Monoisotopic Mass	82.053098200
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	44.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-298636A	2,5-Dibromo-4-methylimidazole
sc-264872	1-Methylimidazole-4,5-dicarbonitrile
sc-299589	4,5-Dibromo-2-methylimidazole
sc-299601A	4,5-Diiodo-2-methylimidazole
sc-267793	4,5-Dichloro-1-methylimidazole
sc-298636	2,5-Dibromo-4-methylimidazole
sc-299601	4,5-Diiodo-2-methylimidazole
sc-299589A	4,5-Dibromo-2-methylimidazole
sc-483736	4-Methylimidazole-d3
sc-233379	5-Iodo-1-methylimidazole