3-tert-butyl-5,5-dimethyl-4H-imidazole

C9H18N2 — CID 58910274

IUPAC3-tert-butyl-5,5-dimethyl-4H-imidazole
SMILESCC1(C)CN(C(C)(C)C)C=N1
InChIInChI=1S/C9H18N2/c1-8(2,3)11-6-9(4,5)10-7-11/h7H,6H2,1-5H3
InChIKeyTUVQNZXWUFXFOK-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.91
Rot. Bonds

About 3-tert-butyl-5,5-dimethyl-4H-imidazole

3-tert-butyl-5,5-dimethyl-4H-imidazole (PubChem CID 58910274) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-tert-butyl-5,5-dimethyl-4H-imidazole.

Molecular Properties

Compound Name3-tert-butyl-5,5-dimethyl-4H-imidazole
PubChem CID58910274
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-tert-butyl-5,5-dimethyl-4H-imidazole
SMILESCC1(C)CN(C(C)(C)C)C=N1
InChIInChI=1S/C9H18N2/c1-8(2,3)11-6-9(4,5)10-7-11/h7H,6H2,1-5H3
InChIKeyTUVQNZXWUFXFOK-UHFFFAOYSA-N
XLogP1.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,5-dimethyl-4H-imidazole?
The IUPAC name of 3-tert-butyl-5,5-dimethyl-4H-imidazole (CID 58910274) is 3-tert-butyl-5,5-dimethyl-4H-imidazole.
What is the SMILES notation for 3-tert-butyl-5,5-dimethyl-4H-imidazole?
The canonical SMILES for 3-tert-butyl-5,5-dimethyl-4H-imidazole is CC1(C)CN(C(C)(C)C)C=N1.
What is the InChIKey of 3-tert-butyl-5,5-dimethyl-4H-imidazole?
The InChIKey is TUVQNZXWUFXFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2,3)11-6-9(4,5)10-7-11/h7H,6H2,1-5H3.
What are the key properties of 3-tert-butyl-5,5-dimethyl-4H-imidazole?
3-tert-butyl-5,5-dimethyl-4H-imidazole has a molecular weight of 154.26 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,5-dimethyl-4H-imidazole is sourced from PubChem (CID 58910274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).