2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole

C14H26N2 — CID 66723348

IUPAC2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole
SMILESCCC(C)c1nc(C(C)(C)C)c(C(C)C)[nH]1
InChIInChI=1S/C14H26N2/c1-8-10(4)13-15-11(9(2)3)12(16-13)14(5,6)7/h9-10H,8H2,1-7H3,(H,15,16)
InChIKeyRJILYCQIJJHUTQ-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.34
Rot. Bonds3

About 2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole

2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole (PubChem CID 66723348) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole
PubChem CID66723348
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole
SMILESCCC(C)c1nc(C(C)(C)C)c(C(C)C)[nH]1
InChIInChI=1S/C14H26N2/c1-8-10(4)13-15-11(9(2)3)12(16-13)14(5,6)7/h9-10H,8H2,1-7H3,(H,15,16)
InChIKeyRJILYCQIJJHUTQ-UHFFFAOYSA-N
XLogP4.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole?
The IUPAC name of 2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole (CID 66723348) is 2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole is CCC(C)c1nc(C(C)(C)C)c(C(C)C)[nH]1.
What is the InChIKey of 2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole?
The InChIKey is RJILYCQIJJHUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-8-10(4)13-15-11(9(2)3)12(16-13)14(5,6)7/h9-10H,8H2,1-7H3,(H,15,16).
What are the key properties of 2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole?
2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole has a molecular weight of 222.38 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 66723348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).