5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole

C11H18N2O — CID 139460495

IUPAC5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole
SMILESCC(C)(C)c1cnc(C2CCCO2)[nH]1
InChIInChI=1S/C11H18N2O/c1-11(2,3)9-7-12-10(13-9)8-5-4-6-14-8/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyOFPYQIRCCFNINJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.56
Rot. Bonds1

About 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole

5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole (PubChem CID 139460495) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole
PubChem CID139460495
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole
SMILESCC(C)(C)c1cnc(C2CCCO2)[nH]1
InChIInChI=1S/C11H18N2O/c1-11(2,3)9-7-12-10(13-9)8-5-4-6-14-8/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyOFPYQIRCCFNINJ-UHFFFAOYSA-N
XLogP2.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole?
The IUPAC name of 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole (CID 139460495) is 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole.
What is the SMILES notation for 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole?
The canonical SMILES for 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole is CC(C)(C)c1cnc(C2CCCO2)[nH]1.
What is the InChIKey of 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole?
The InChIKey is OFPYQIRCCFNINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,3)9-7-12-10(13-9)8-5-4-6-14-8/h7-8H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole?
5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole has a molecular weight of 194.28 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(oxolan-2-yl)-1H-imidazole is sourced from PubChem (CID 139460495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).