2-methyl-1H-imidazol-1-ium

C4H7N2+ — CID 19047642

IUPAC2-methyl-1H-imidazol-1-ium
SMILESCC1=NC=C[NH2+]1
InChIInChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)/p+1
InChIKeyLXBGSDVWAMZHDD-UHFFFAOYSA-O
MW83.11 g/mol
LogP-0.55
Rot. Bonds

About 2-methyl-1H-imidazol-1-ium

2-methyl-1H-imidazol-1-ium (PubChem CID 19047642) has the molecular formula C4H7N2+ and a molecular weight of 83.11 g/mol. Its IUPAC name is 2-methyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name2-methyl-1H-imidazol-1-ium
PubChem CID19047642
Molecular FormulaC4H7N2+
Molecular Weight83.11 g/mol
Exact Mass83.06
IUPAC Name2-methyl-1H-imidazol-1-ium
SMILESCC1=NC=C[NH2+]1
InChIInChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)/p+1
InChIKeyLXBGSDVWAMZHDD-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

1,2-Dimethylimidazolium chloride
CID 66809752
N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide
CID 88979778
3-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 17821438
CID 134978707
CID 134978707
2-propan-2-yl-1H-imidazol-1-ium
CID 20276869
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
1-methanidyl-2-methyl-1H-imidazol-1-ium
CID 57868272
N-methyl-2H-pyrazin-2-id-6-amine;yttrium
CID 59343465
2-Methyl-1,4-dihydroimidazol-4-ide;yttrium
CID 59701338
2-Methyl-1,4-dihydroimidazol-4-ide;vanadium
CID 59797181
2-ethyl-1-methyl-1H-imidazol-1-ium bromide
CID 66639976
2-ethyl-1-methyl-1H-imidazol-1-ium chloride
CID 66778723

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazol-1-ium?
The IUPAC name of 2-methyl-1H-imidazol-1-ium (CID 19047642) is 2-methyl-1H-imidazol-1-ium.
What is the SMILES notation for 2-methyl-1H-imidazol-1-ium?
The canonical SMILES for 2-methyl-1H-imidazol-1-ium is CC1=NC=C[NH2+]1.
What is the InChIKey of 2-methyl-1H-imidazol-1-ium?
The InChIKey is LXBGSDVWAMZHDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)/p+1.
What are the key properties of 2-methyl-1H-imidazol-1-ium?
2-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 2-methyl-1H-imidazol-1-ium is sourced from PubChem (CID 19047642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).