5-tert-butyl-3-methyl-1,2-dihydroimidazole

C8H16N2 — CID 89210759

IUPAC5-tert-butyl-3-methyl-1,2-dihydroimidazole
SMILESCN1C=C(C(C)(C)C)NC1
InChIInChI=1S/C8H16N2/c1-8(2,3)7-5-10(4)6-9-7/h5,9H,6H2,1-4H3
InChIKeyGOXAZJYYSPWRPP-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.37
Rot. Bonds

About 5-tert-butyl-3-methyl-1,2-dihydroimidazole

5-tert-butyl-3-methyl-1,2-dihydroimidazole (PubChem CID 89210759) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-1,2-dihydroimidazole
PubChem CID89210759
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-tert-butyl-3-methyl-1,2-dihydroimidazole
SMILESCN1C=C(C(C)(C)C)NC1
InChIInChI=1S/C8H16N2/c1-8(2,3)7-5-10(4)6-9-7/h5,9H,6H2,1-4H3
InChIKeyGOXAZJYYSPWRPP-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-1,2-dihydroimidazole?
The IUPAC name of 5-tert-butyl-3-methyl-1,2-dihydroimidazole (CID 89210759) is 5-tert-butyl-3-methyl-1,2-dihydroimidazole.
What is the SMILES notation for 5-tert-butyl-3-methyl-1,2-dihydroimidazole?
The canonical SMILES for 5-tert-butyl-3-methyl-1,2-dihydroimidazole is CN1C=C(C(C)(C)C)NC1.
What is the InChIKey of 5-tert-butyl-3-methyl-1,2-dihydroimidazole?
The InChIKey is GOXAZJYYSPWRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,3)7-5-10(4)6-9-7/h5,9H,6H2,1-4H3.
What are the key properties of 5-tert-butyl-3-methyl-1,2-dihydroimidazole?
5-tert-butyl-3-methyl-1,2-dihydroimidazole has a molecular weight of 140.23 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-1,2-dihydroimidazole is sourced from PubChem (CID 89210759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).