1-methyl-5-methylidene-4H-imidazole

C5H8N2 — CID 67978393

IUPAC1-methyl-5-methylidene-4H-imidazole
SMILESC=C1CN=CN1C
InChIInChI=1S/C5H8N2/c1-5-3-6-4-7(5)2/h4H,1,3H2,2H3
InChIKeyDNAKIVOUEDGFMG-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.47
Rot. Bonds

About 1-methyl-5-methylidene-4H-imidazole

1-methyl-5-methylidene-4H-imidazole (PubChem CID 67978393) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 1-methyl-5-methylidene-4H-imidazole.

Molecular Properties

Compound Name1-methyl-5-methylidene-4H-imidazole
PubChem CID67978393
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name1-methyl-5-methylidene-4H-imidazole
SMILESC=C1CN=CN1C
InChIInChI=1S/C5H8N2/c1-5-3-6-4-7(5)2/h4H,1,3H2,2H3
InChIKeyDNAKIVOUEDGFMG-UHFFFAOYSA-N
XLogP0.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylidene-4H-imidazole?
The IUPAC name of 1-methyl-5-methylidene-4H-imidazole (CID 67978393) is 1-methyl-5-methylidene-4H-imidazole.
What is the SMILES notation for 1-methyl-5-methylidene-4H-imidazole?
The canonical SMILES for 1-methyl-5-methylidene-4H-imidazole is C=C1CN=CN1C.
What is the InChIKey of 1-methyl-5-methylidene-4H-imidazole?
The InChIKey is DNAKIVOUEDGFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-5-3-6-4-7(5)2/h4H,1,3H2,2H3.
What are the key properties of 1-methyl-5-methylidene-4H-imidazole?
1-methyl-5-methylidene-4H-imidazole has a molecular weight of 96.13 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylidene-4H-imidazole is sourced from PubChem (CID 67978393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).