2-methyl-4-methylideneimidazol-1-ium

C5H7N2+ — CID 91287056

IUPAC2-methyl-4-methylideneimidazol-1-ium
SMILESC=C1C=[NH+]C(C)=N1
InChIInChI=1S/C5H6N2/c1-4-3-6-5(2)7-4/h3H,1H2,2H3/p+1
InChIKeyVUTRSGMJLSJMHL-UHFFFAOYSA-O
MW95.12 g/mol
LogP-0.92
Rot. Bonds

About 2-methyl-4-methylideneimidazol-1-ium

2-methyl-4-methylideneimidazol-1-ium (PubChem CID 91287056) has the molecular formula C5H7N2+ and a molecular weight of 95.12 g/mol. Its IUPAC name is 2-methyl-4-methylideneimidazol-1-ium.

Molecular Properties

Compound Name2-methyl-4-methylideneimidazol-1-ium
PubChem CID91287056
Molecular FormulaC5H7N2+
Molecular Weight95.12 g/mol
Exact Mass95.06
IUPAC Name2-methyl-4-methylideneimidazol-1-ium
SMILESC=C1C=[NH+]C(C)=N1
InChIInChI=1S/C5H6N2/c1-4-3-6-5(2)7-4/h3H,1H2,2H3/p+1
InChIKeyVUTRSGMJLSJMHL-UHFFFAOYSA-O
XLogP-0.92
TPSA26.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.12
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylideneimidazol-1-ium?
The IUPAC name of 2-methyl-4-methylideneimidazol-1-ium (CID 91287056) is 2-methyl-4-methylideneimidazol-1-ium.
What is the SMILES notation for 2-methyl-4-methylideneimidazol-1-ium?
The canonical SMILES for 2-methyl-4-methylideneimidazol-1-ium is C=C1C=[NH+]C(C)=N1.
What is the InChIKey of 2-methyl-4-methylideneimidazol-1-ium?
The InChIKey is VUTRSGMJLSJMHL-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6N2/c1-4-3-6-5(2)7-4/h3H,1H2,2H3/p+1.
What are the key properties of 2-methyl-4-methylideneimidazol-1-ium?
2-methyl-4-methylideneimidazol-1-ium has a molecular weight of 95.12 g/mol, XLogP of -0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylideneimidazol-1-ium is sourced from PubChem (CID 91287056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).