2,2,3-trimethyl-4H-imidazole

C6H12N2 — CID 70231126

IUPAC2,2,3-trimethyl-4H-imidazole
SMILESCN1CC=NC1(C)C
InChIInChI=1S/C6H12N2/c1-6(2)7-4-5-8(6)3/h4H,5H2,1-3H3
InChIKeyXBBADEUMMSUYQV-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.74
Rot. Bonds

About 2,2,3-trimethyl-4H-imidazole

2,2,3-trimethyl-4H-imidazole (PubChem CID 70231126) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2,2,3-trimethyl-4H-imidazole.

Molecular Properties

Compound Name2,2,3-trimethyl-4H-imidazole
PubChem CID70231126
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2,2,3-trimethyl-4H-imidazole
SMILESCN1CC=NC1(C)C
InChIInChI=1S/C6H12N2/c1-6(2)7-4-5-8(6)3/h4H,5H2,1-3H3
InChIKeyXBBADEUMMSUYQV-UHFFFAOYSA-N
XLogP0.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4H-imidazole?
The IUPAC name of 2,2,3-trimethyl-4H-imidazole (CID 70231126) is 2,2,3-trimethyl-4H-imidazole.
What is the SMILES notation for 2,2,3-trimethyl-4H-imidazole?
The canonical SMILES for 2,2,3-trimethyl-4H-imidazole is CN1CC=NC1(C)C.
What is the InChIKey of 2,2,3-trimethyl-4H-imidazole?
The InChIKey is XBBADEUMMSUYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(2)7-4-5-8(6)3/h4H,5H2,1-3H3.
What are the key properties of 2,2,3-trimethyl-4H-imidazole?
2,2,3-trimethyl-4H-imidazole has a molecular weight of 112.18 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4H-imidazole is sourced from PubChem (CID 70231126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).