2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole

C11H20N2 — CID 68753870

IUPAC2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole
SMILESCCC(C)(C)c1ncc(C(C)C)[nH]1
InChIInChI=1S/C11H20N2/c1-6-11(4,5)10-12-7-9(13-10)8(2)3/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeyAPUJSWIYXSFNSX-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.22
Rot. Bonds3

About 2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole

2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole (PubChem CID 68753870) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole
PubChem CID68753870
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole
SMILESCCC(C)(C)c1ncc(C(C)C)[nH]1
InChIInChI=1S/C11H20N2/c1-6-11(4,5)10-12-7-9(13-10)8(2)3/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeyAPUJSWIYXSFNSX-UHFFFAOYSA-N
XLogP3.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole?
The IUPAC name of 2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole (CID 68753870) is 2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole is CCC(C)(C)c1ncc(C(C)C)[nH]1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole?
The InChIKey is APUJSWIYXSFNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-11(4,5)10-12-7-9(13-10)8(2)3/h7-8H,6H2,1-5H3,(H,12,13).
What are the key properties of 2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole?
2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole has a molecular weight of 180.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 68753870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).