1-pentan-2-yl-2-propan-2-ylimidazole

C11H20N2 — CID 122705417

IUPAC1-pentan-2-yl-2-propan-2-ylimidazole
SMILESCCCC(C)n1ccnc1C(C)C
InChIInChI=1S/C11H20N2/c1-5-6-10(4)13-8-7-12-11(13)9(2)3/h7-10H,5-6H2,1-4H3
InChIKeyAXMKHLLMHAHALT-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.37
Rot. Bonds4

About 1-pentan-2-yl-2-propan-2-ylimidazole

1-pentan-2-yl-2-propan-2-ylimidazole (PubChem CID 122705417) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-pentan-2-yl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-pentan-2-yl-2-propan-2-ylimidazole
PubChem CID122705417
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-pentan-2-yl-2-propan-2-ylimidazole
SMILESCCCC(C)n1ccnc1C(C)C
InChIInChI=1S/C11H20N2/c1-5-6-10(4)13-8-7-12-11(13)9(2)3/h7-10H,5-6H2,1-4H3
InChIKeyAXMKHLLMHAHALT-UHFFFAOYSA-N
XLogP3.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-2-propan-2-ylimidazole
CID 122705380
2-docosan-4-yl-1-pentadecan-2-ylimidazole
CID 69408577
2-docosan-4-yl-1-heptan-2-ylimidazole
CID 69407508
2-nonacosan-12-yl-1-octadecan-2-ylimidazole
CID 69409675
1-octan-2-yl-2-tridecan-2-ylimidazole
CID 69409116
2-nonacosan-15-yl-1-octan-2-ylimidazole
CID 69409721
1-octadecan-2-yl-2-pentacosan-13-ylimidazole
CID 69406789
2-docosan-10-yl-1-nonan-2-ylimidazole
CID 69405990
1-hexadecan-2-yl-2-pentacosan-10-ylimidazole
CID 69408468
1-pentadecan-2-yl-2-pentadecan-7-ylimidazole
CID 69405827
1-nonadecan-2-yl-2-tridecan-2-ylimidazole
CID 69408935
2-decan-2-yl-1-nonadecan-2-ylimidazole
CID 69408162

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yl-2-propan-2-ylimidazole?
The IUPAC name of 1-pentan-2-yl-2-propan-2-ylimidazole (CID 122705417) is 1-pentan-2-yl-2-propan-2-ylimidazole.
What is the SMILES notation for 1-pentan-2-yl-2-propan-2-ylimidazole?
The canonical SMILES for 1-pentan-2-yl-2-propan-2-ylimidazole is CCCC(C)n1ccnc1C(C)C.
What is the InChIKey of 1-pentan-2-yl-2-propan-2-ylimidazole?
The InChIKey is AXMKHLLMHAHALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-6-10(4)13-8-7-12-11(13)9(2)3/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-pentan-2-yl-2-propan-2-ylimidazole?
1-pentan-2-yl-2-propan-2-ylimidazole has a molecular weight of 180.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yl-2-propan-2-ylimidazole is sourced from PubChem (CID 122705417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).