2-(deuteriomethyl)-1,4,5-trimethylimidazole

C7H12N2 — CID 59970458

IUPAC2-(deuteriomethyl)-1,4,5-trimethylimidazole
SMILES[2H]Cc1nc(C)c(C)n1C
InChIInChI=1S/C7H12N2/c1-5-6(2)9(4)7(3)8-5/h1-4H3/i3D
InChIKeyWLUJHMKCLOIRSK-WFVSFCRTSA-N
MW125.19 g/mol
LogP1.35
Rot. Bonds1

About 2-(deuteriomethyl)-1,4,5-trimethylimidazole

2-(deuteriomethyl)-1,4,5-trimethylimidazole (PubChem CID 59970458) has the molecular formula C7H12N2 and a molecular weight of 125.19 g/mol. Its IUPAC name is 2-(deuteriomethyl)-1,4,5-trimethylimidazole.

Molecular Properties

Compound Name2-(deuteriomethyl)-1,4,5-trimethylimidazole
PubChem CID59970458
Molecular FormulaC7H12N2
Molecular Weight125.19 g/mol
Exact Mass125.11
IUPAC Name2-(deuteriomethyl)-1,4,5-trimethylimidazole
SMILES[2H]Cc1nc(C)c(C)n1C
InChIInChI=1S/C7H12N2/c1-5-6(2)9(4)7(3)8-5/h1-4H3/i3D
InChIKeyWLUJHMKCLOIRSK-WFVSFCRTSA-N
XLogP1.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylpiperidine;1,2,4,5-tetramethylimidazole
CID 142002104
tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole)
CID 159056156
2,4,5-trimethylimidazole-1-carbonitrile
CID 45087624
1-(1,4,5-trimethylimidazol-2-yl)ethanamine
CID 82463368
3-chloro-1,5,6-trimethylpyrazin-2-one
CID 146565343
2-chloro-1,4,5-trimethylimidazole;diiodovanadium
CID 159466578
methyl-(1,4,5-trimethylimidazol-2-yl)diazene
CID 118299373
2-(1,4,5-trimethylimidazol-2-yl)ethanethiol
CID 154656315
2-oxo-2-(1,4,5-trimethylimidazol-2-yl)acetic acid
CID 83391324
N-[(1,4,5-trimethylimidazol-2-yl)methyl]prop-2-en-1-imine
CID 139297464
4-(1,4,5-trimethylimidazol-2-yl)phenol
CID 135971971
1,2,5-trimethylimidazole-4-carboxylic acid
CID 82595358

Frequently Asked Questions

What is the IUPAC name of 2-(deuteriomethyl)-1,4,5-trimethylimidazole?
The IUPAC name of 2-(deuteriomethyl)-1,4,5-trimethylimidazole (CID 59970458) is 2-(deuteriomethyl)-1,4,5-trimethylimidazole.
What is the SMILES notation for 2-(deuteriomethyl)-1,4,5-trimethylimidazole?
The canonical SMILES for 2-(deuteriomethyl)-1,4,5-trimethylimidazole is [2H]Cc1nc(C)c(C)n1C.
What is the InChIKey of 2-(deuteriomethyl)-1,4,5-trimethylimidazole?
The InChIKey is WLUJHMKCLOIRSK-WFVSFCRTSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-6(2)9(4)7(3)8-5/h1-4H3/i3D.
What are the key properties of 2-(deuteriomethyl)-1,4,5-trimethylimidazole?
2-(deuteriomethyl)-1,4,5-trimethylimidazole has a molecular weight of 125.19 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(deuteriomethyl)-1,4,5-trimethylimidazole is sourced from PubChem (CID 59970458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).