4-methyl-1H-imidazol-1-ium

C4H7N2+ — CID 59048718

IUPAC4-methyl-1H-imidazol-1-ium
SMILESCC1=C[NH2+]C=N1
InChIInChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)/p+1
InChIKeyXLSZMDLNRCVEIJ-UHFFFAOYSA-O
MW83.11 g/mol
LogP-0.55
Rot. Bonds

About 4-methyl-1H-imidazol-1-ium

4-methyl-1H-imidazol-1-ium (PubChem CID 59048718) has the molecular formula C4H7N2+ and a molecular weight of 83.11 g/mol. Its IUPAC name is 4-methyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name4-methyl-1H-imidazol-1-ium
PubChem CID59048718
Molecular FormulaC4H7N2+
Molecular Weight83.11 g/mol
Exact Mass83.06
IUPAC Name4-methyl-1H-imidazol-1-ium
SMILESCC1=C[NH2+]C=N1
InChIInChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)/p+1
InChIKeyXLSZMDLNRCVEIJ-UHFFFAOYSA-O
XLogP-0.55
TPSA28.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.11
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1H-imidazol-1-ium chloride
CID 53447252
4-(fluoromethyl)-1-methanidyl-1H-imidazol-1-ium
CID 154595149
1-methyl-4-(trifluoromethyl)-1H-imidazol-1-ium
CID 173720992
N-[(E)-1-aminoprop-1-en-2-yl]-N'-(1-fluoroethyl)methanimidamide
CID 173795794
CID 134904513
CID 134904513
CID 134978787
CID 134978787
1-methanidyl-4-methyl-1H-imidazol-1-ium
CID 21353566
N'-ethyl-N-prop-1-enylmethanimidamide
CID 54520223
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
5-Methyl-1,2-dihydroimidazol-2-ide;yttrium
CID 59701330
5-Methyl-1,2-dihydroimidazol-2-ide;vanadium
CID 59797118
1,4-dimethyl-1H-imidazol-1-ium
CID 59889377

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-imidazol-1-ium?
The IUPAC name of 4-methyl-1H-imidazol-1-ium (CID 59048718) is 4-methyl-1H-imidazol-1-ium.
What is the SMILES notation for 4-methyl-1H-imidazol-1-ium?
The canonical SMILES for 4-methyl-1H-imidazol-1-ium is CC1=C[NH2+]C=N1.
What is the InChIKey of 4-methyl-1H-imidazol-1-ium?
The InChIKey is XLSZMDLNRCVEIJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)/p+1.
What are the key properties of 4-methyl-1H-imidazol-1-ium?
4-methyl-1H-imidazol-1-ium has a molecular weight of 83.11 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-imidazol-1-ium is sourced from PubChem (CID 59048718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).