2,2-dimethylimidazole

C5H8N2 — CID 22173766

IUPAC2,2-dimethylimidazole
SMILESCC1(C)N=CC=N1
InChIInChI=1S/C5H8N2/c1-5(2)6-3-4-7-5/h3-4H,1-2H3
InChIKeyWZYHGSHVTXRAFY-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.88
Rot. Bonds

About 2,2-dimethylimidazole

2,2-dimethylimidazole (PubChem CID 22173766) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2,2-dimethylimidazole.

Molecular Properties

Compound Name2,2-dimethylimidazole
PubChem CID22173766
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2,2-dimethylimidazole
SMILESCC1(C)N=CC=N1
InChIInChI=1S/C5H8N2/c1-5(2)6-3-4-7-5/h3-4H,1-2H3
InChIKeyWZYHGSHVTXRAFY-UHFFFAOYSA-N
XLogP0.88
TPSA24.72 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 ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylimidazole?
The IUPAC name of 2,2-dimethylimidazole (CID 22173766) is 2,2-dimethylimidazole.
What is the SMILES notation for 2,2-dimethylimidazole?
The canonical SMILES for 2,2-dimethylimidazole is CC1(C)N=CC=N1.
What is the InChIKey of 2,2-dimethylimidazole?
The InChIKey is WZYHGSHVTXRAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-5(2)6-3-4-7-5/h3-4H,1-2H3.
What are the key properties of 2,2-dimethylimidazole?
2,2-dimethylimidazole has a molecular weight of 96.13 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylimidazole is sourced from PubChem (CID 22173766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).