4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole

C12H22N2 — CID 68746831

IUPAC4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole
SMILESCCc1nc(C(C)(C)CC)[nH]c1CC
InChIInChI=1S/C12H22N2/c1-6-9-10(7-2)14-11(13-9)12(4,5)8-3/h6-8H2,1-5H3,(H,13,14)
InChIKeyWJPVOPGFVWCEPM-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.22
Rot. Bonds4

About 4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole

4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole (PubChem CID 68746831) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole
PubChem CID68746831
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole
SMILESCCc1nc(C(C)(C)CC)[nH]c1CC
InChIInChI=1S/C12H22N2/c1-6-9-10(7-2)14-11(13-9)12(4,5)8-3/h6-8H2,1-5H3,(H,13,14)
InChIKeyWJPVOPGFVWCEPM-UHFFFAOYSA-N
XLogP3.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole?
The IUPAC name of 4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole (CID 68746831) is 4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole.
What is the SMILES notation for 4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole?
The canonical SMILES for 4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole is CCc1nc(C(C)(C)CC)[nH]c1CC.
What is the InChIKey of 4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole?
The InChIKey is WJPVOPGFVWCEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-9-10(7-2)14-11(13-9)12(4,5)8-3/h6-8H2,1-5H3,(H,13,14).
What are the key properties of 4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole?
4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole has a molecular weight of 194.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole is sourced from PubChem (CID 68746831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).