2,2,4-trimethyl-1,5-dihydroimidazole

C6H12N2 — CID 10630458

IUPAC2,2,4-trimethyl-1,5-dihydroimidazole
SMILESCC1=NC(C)(C)NC1
InChIInChI=1S/C6H12N2/c1-5-4-7-6(2,3)8-5/h7H,4H2,1-3H3
InChIKeyZEAQWGKOKPVPJP-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.79
Rot. Bonds

About 2,2,4-trimethyl-1,5-dihydroimidazole

2,2,4-trimethyl-1,5-dihydroimidazole (PubChem CID 10630458) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2,2,4-trimethyl-1,5-dihydroimidazole.

Molecular Properties

Compound Name2,2,4-trimethyl-1,5-dihydroimidazole
PubChem CID10630458
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2,2,4-trimethyl-1,5-dihydroimidazole
SMILESCC1=NC(C)(C)NC1
InChIInChI=1S/C6H12N2/c1-5-4-7-6(2,3)8-5/h7H,4H2,1-3H3
InChIKeyZEAQWGKOKPVPJP-UHFFFAOYSA-N
XLogP0.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1,5-dihydroimidazole?
The IUPAC name of 2,2,4-trimethyl-1,5-dihydroimidazole (CID 10630458) is 2,2,4-trimethyl-1,5-dihydroimidazole.
What is the SMILES notation for 2,2,4-trimethyl-1,5-dihydroimidazole?
The canonical SMILES for 2,2,4-trimethyl-1,5-dihydroimidazole is CC1=NC(C)(C)NC1.
What is the InChIKey of 2,2,4-trimethyl-1,5-dihydroimidazole?
The InChIKey is ZEAQWGKOKPVPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-4-7-6(2,3)8-5/h7H,4H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-1,5-dihydroimidazole?
2,2,4-trimethyl-1,5-dihydroimidazole has a molecular weight of 112.18 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1,5-dihydroimidazole is sourced from PubChem (CID 10630458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).