2-methyl-4-methylideneimidazole

C5H6N2 — CID 91287057

IUPAC2-methyl-4-methylideneimidazole
SMILESC=C1C=NC(C)=N1
InChIInChI=1S/C5H6N2/c1-4-3-6-5(2)7-4/h3H,1H2,2H3
InChIKeyVUTRSGMJLSJMHL-UHFFFAOYSA-N
MW94.12 g/mol
LogP1.00
Rot. Bonds

About 2-methyl-4-methylideneimidazole

2-methyl-4-methylideneimidazole (PubChem CID 91287057) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 2-methyl-4-methylideneimidazole.

Molecular Properties

Compound Name2-methyl-4-methylideneimidazole
PubChem CID91287057
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name2-methyl-4-methylideneimidazole
SMILESC=C1C=NC(C)=N1
InChIInChI=1S/C5H6N2/c1-4-3-6-5(2)7-4/h3H,1H2,2H3
InChIKeyVUTRSGMJLSJMHL-UHFFFAOYSA-N
XLogP1.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylideneimidazole?
The IUPAC name of 2-methyl-4-methylideneimidazole (CID 91287057) is 2-methyl-4-methylideneimidazole.
What is the SMILES notation for 2-methyl-4-methylideneimidazole?
The canonical SMILES for 2-methyl-4-methylideneimidazole is C=C1C=NC(C)=N1.
What is the InChIKey of 2-methyl-4-methylideneimidazole?
The InChIKey is VUTRSGMJLSJMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-4-3-6-5(2)7-4/h3H,1H2,2H3.
What are the key properties of 2-methyl-4-methylideneimidazole?
2-methyl-4-methylideneimidazole has a molecular weight of 94.12 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylideneimidazole is sourced from PubChem (CID 91287057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).