4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole

C19H36N2 — CID 66723018

IUPAC4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole
SMILESCCCCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)CC)[nH]1
InChIInChI=1S/C19H36N2/c1-10-12-13-19(8,9)16-20-14(17(3,4)5)15(21-16)18(6,7)11-2/h10-13H2,1-9H3,(H,20,21)
InChIKeyAGKREIQKUNZHTM-UHFFFAOYSA-N
MW292.51 g/mol
LogP5.86
Rot. Bonds6

About 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole

4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole (PubChem CID 66723018) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole
PubChem CID66723018
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole
SMILESCCCCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)CC)[nH]1
InChIInChI=1S/C19H36N2/c1-10-12-13-19(8,9)16-20-14(17(3,4)5)15(21-16)18(6,7)11-2/h10-13H2,1-9H3,(H,20,21)
InChIKeyAGKREIQKUNZHTM-UHFFFAOYSA-N
XLogP5.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole?
The IUPAC name of 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole (CID 66723018) is 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole.
What is the SMILES notation for 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole?
The canonical SMILES for 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole is CCCCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)CC)[nH]1.
What is the InChIKey of 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole?
The InChIKey is AGKREIQKUNZHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-10-12-13-19(8,9)16-20-14(17(3,4)5)15(21-16)18(6,7)11-2/h10-13H2,1-9H3,(H,20,21).
What are the key properties of 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole?
4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole has a molecular weight of 292.51 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole is sourced from PubChem (CID 66723018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).