2-tert-butyl-1-methyl-4,5-dihydroimidazole

C8H16N2 — CID 20628326

IUPAC2-tert-butyl-1-methyl-4,5-dihydroimidazole
SMILESCN1CCN=C1C(C)(C)C
InChIInChI=1S/C8H16N2/c1-8(2,3)7-9-5-6-10(7)4/h5-6H2,1-4H3
InChIKeyUOYUOEOQCSFZBZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.38
Rot. Bonds

About 2-tert-butyl-1-methyl-4,5-dihydroimidazole

2-tert-butyl-1-methyl-4,5-dihydroimidazole (PubChem CID 20628326) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-4,5-dihydroimidazole
PubChem CID20628326
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-tert-butyl-1-methyl-4,5-dihydroimidazole
SMILESCN1CCN=C1C(C)(C)C
InChIInChI=1S/C8H16N2/c1-8(2,3)7-9-5-6-10(7)4/h5-6H2,1-4H3
InChIKeyUOYUOEOQCSFZBZ-UHFFFAOYSA-N
XLogP1.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-tert-butyl-1-methyl-4,5-dihydroimidazole (CID 20628326) is 2-tert-butyl-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-tert-butyl-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-tert-butyl-1-methyl-4,5-dihydroimidazole is CN1CCN=C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methyl-4,5-dihydroimidazole?
The InChIKey is UOYUOEOQCSFZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,3)7-9-5-6-10(7)4/h5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-1-methyl-4,5-dihydroimidazole?
2-tert-butyl-1-methyl-4,5-dihydroimidazole has a molecular weight of 140.23 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 20628326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).