2-butan-2-yl-4-methyl-1-propan-2-ylimidazole

C11H20N2 — CID 129190892

IUPAC2-butan-2-yl-4-methyl-1-propan-2-ylimidazole
SMILESCCC(C)c1nc(C)cn1C(C)C
InChIInChI=1S/C11H20N2/c1-6-9(4)11-12-10(5)7-13(11)8(2)3/h7-9H,6H2,1-5H3
InChIKeyOLMHVTFYHMKXBF-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.29
Rot. Bonds3

About 2-butan-2-yl-4-methyl-1-propan-2-ylimidazole

2-butan-2-yl-4-methyl-1-propan-2-ylimidazole (PubChem CID 129190892) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-butan-2-yl-4-methyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-butan-2-yl-4-methyl-1-propan-2-ylimidazole
PubChem CID129190892
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-butan-2-yl-4-methyl-1-propan-2-ylimidazole
SMILESCCC(C)c1nc(C)cn1C(C)C
InChIInChI=1S/C11H20N2/c1-6-9(4)11-12-10(5)7-13(11)8(2)3/h7-9H,6H2,1-5H3
InChIKeyOLMHVTFYHMKXBF-UHFFFAOYSA-N
XLogP3.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-methyl-1-propan-2-ylimidazole?
The IUPAC name of 2-butan-2-yl-4-methyl-1-propan-2-ylimidazole (CID 129190892) is 2-butan-2-yl-4-methyl-1-propan-2-ylimidazole.
What is the SMILES notation for 2-butan-2-yl-4-methyl-1-propan-2-ylimidazole?
The canonical SMILES for 2-butan-2-yl-4-methyl-1-propan-2-ylimidazole is CCC(C)c1nc(C)cn1C(C)C.
What is the InChIKey of 2-butan-2-yl-4-methyl-1-propan-2-ylimidazole?
The InChIKey is OLMHVTFYHMKXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-9(4)11-12-10(5)7-13(11)8(2)3/h7-9H,6H2,1-5H3.
What are the key properties of 2-butan-2-yl-4-methyl-1-propan-2-ylimidazole?
2-butan-2-yl-4-methyl-1-propan-2-ylimidazole has a molecular weight of 180.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-methyl-1-propan-2-ylimidazole is sourced from PubChem (CID 129190892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).