2-methylidene-1,3-dihydroimidazole

C4H6N2 — CID 22959169

IUPAC2-methylidene-1,3-dihydroimidazole
SMILESC=C1NC=CN1
InChIInChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3,5-6H,1H2
InChIKeyHBHOXPFSYPXTDV-UHFFFAOYSA-N
MW82.11 g/mol
LogP0.12
Rot. Bonds

About 2-methylidene-1,3-dihydroimidazole

2-methylidene-1,3-dihydroimidazole (PubChem CID 22959169) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 2-methylidene-1,3-dihydroimidazole.

Molecular Properties

Compound Name2-methylidene-1,3-dihydroimidazole
PubChem CID22959169
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name2-methylidene-1,3-dihydroimidazole
SMILESC=C1NC=CN1
InChIInChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3,5-6H,1H2
InChIKeyHBHOXPFSYPXTDV-UHFFFAOYSA-N
XLogP0.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,3-dihydroimidazole?
The IUPAC name of 2-methylidene-1,3-dihydroimidazole (CID 22959169) is 2-methylidene-1,3-dihydroimidazole.
What is the SMILES notation for 2-methylidene-1,3-dihydroimidazole?
The canonical SMILES for 2-methylidene-1,3-dihydroimidazole is C=C1NC=CN1.
What is the InChIKey of 2-methylidene-1,3-dihydroimidazole?
The InChIKey is HBHOXPFSYPXTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3,5-6H,1H2.
What are the key properties of 2-methylidene-1,3-dihydroimidazole?
2-methylidene-1,3-dihydroimidazole has a molecular weight of 82.11 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,3-dihydroimidazole is sourced from PubChem (CID 22959169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).