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

C14H26N2 — CID 68752618

IUPAC2-(2-methylbutan-2-yl)-4,5-dipropyl-1H-imidazole
SMILESCCCc1nc(C(C)(C)CC)[nH]c1CCC
InChIInChI=1S/C14H26N2/c1-6-9-11-12(10-7-2)16-13(15-11)14(4,5)8-3/h6-10H2,1-5H3,(H,15,16)
InChIKeyQFMYKNBQBKMBAO-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.00
Rot. Bonds6

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

2-(2-methylbutan-2-yl)-4,5-dipropyl-1H-imidazole (PubChem CID 68752618) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-4,5-dipropyl-1H-imidazole.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-4,5-dipropyl-1H-imidazole
PubChem CID68752618
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-(2-methylbutan-2-yl)-4,5-dipropyl-1H-imidazole
SMILESCCCc1nc(C(C)(C)CC)[nH]c1CCC
InChIInChI=1S/C14H26N2/c1-6-9-11-12(10-7-2)16-13(15-11)14(4,5)8-3/h6-10H2,1-5H3,(H,15,16)
InChIKeyQFMYKNBQBKMBAO-UHFFFAOYSA-N
XLogP4.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.00
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)-4,5-dipropyl-1H-imidazole?
The IUPAC name of 2-(2-methylbutan-2-yl)-4,5-dipropyl-1H-imidazole (CID 68752618) is 2-(2-methylbutan-2-yl)-4,5-dipropyl-1H-imidazole.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-4,5-dipropyl-1H-imidazole?
The canonical SMILES for 2-(2-methylbutan-2-yl)-4,5-dipropyl-1H-imidazole is CCCc1nc(C(C)(C)CC)[nH]c1CCC.
What is the InChIKey of 2-(2-methylbutan-2-yl)-4,5-dipropyl-1H-imidazole?
The InChIKey is QFMYKNBQBKMBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-9-11-12(10-7-2)16-13(15-11)14(4,5)8-3/h6-10H2,1-5H3,(H,15,16).
What are the key properties of 2-(2-methylbutan-2-yl)-4,5-dipropyl-1H-imidazole?
2-(2-methylbutan-2-yl)-4,5-dipropyl-1H-imidazole has a molecular weight of 222.38 g/mol, XLogP of 4.00, 6 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)-4,5-dipropyl-1H-imidazole is sourced from PubChem (CID 68752618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).