5-methylidene-1,4-dihydroimidazole

C4H6N2 — CID 58182899

IUPAC5-methylidene-1,4-dihydroimidazole
SMILESC=C1CN=CN1
InChIInChI=1S/C4H6N2/c1-4-2-5-3-6-4/h3H,1-2H2,(H,5,6)
InChIKeyCYJJKBFVRQZFEM-UHFFFAOYSA-N
MW82.11 g/mol
LogP0.13
Rot. Bonds

About 5-methylidene-1,4-dihydroimidazole

5-methylidene-1,4-dihydroimidazole (PubChem CID 58182899) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 5-methylidene-1,4-dihydroimidazole.

Molecular Properties

Compound Name5-methylidene-1,4-dihydroimidazole
PubChem CID58182899
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name5-methylidene-1,4-dihydroimidazole
SMILESC=C1CN=CN1
InChIInChI=1S/C4H6N2/c1-4-2-5-3-6-4/h3H,1-2H2,(H,5,6)
InChIKeyCYJJKBFVRQZFEM-UHFFFAOYSA-N
XLogP0.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1,4-dihydroimidazole?
The IUPAC name of 5-methylidene-1,4-dihydroimidazole (CID 58182899) is 5-methylidene-1,4-dihydroimidazole.
What is the SMILES notation for 5-methylidene-1,4-dihydroimidazole?
The canonical SMILES for 5-methylidene-1,4-dihydroimidazole is C=C1CN=CN1.
What is the InChIKey of 5-methylidene-1,4-dihydroimidazole?
The InChIKey is CYJJKBFVRQZFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h3H,1-2H2,(H,5,6).
What are the key properties of 5-methylidene-1,4-dihydroimidazole?
5-methylidene-1,4-dihydroimidazole has a molecular weight of 82.11 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1,4-dihydroimidazole is sourced from PubChem (CID 58182899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).