4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole

C17H32N2 — CID 66723006

IUPAC4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole
SMILESCCCC(C)c1nc(C(C)(C)C)c(C(C)C(C)C)[nH]1
InChIInChI=1S/C17H32N2/c1-9-10-12(4)16-18-14(13(5)11(2)3)15(19-16)17(6,7)8/h11-13H,9-10H2,1-8H3,(H,18,19)
InChIKeyBLMRJJUHSWCQOC-UHFFFAOYSA-N
MW264.46 g/mol
LogP5.37
Rot. Bonds5

About 4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole

4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole (PubChem CID 66723006) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole.

Molecular Properties

Compound Name4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole
PubChem CID66723006
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole
SMILESCCCC(C)c1nc(C(C)(C)C)c(C(C)C(C)C)[nH]1
InChIInChI=1S/C17H32N2/c1-9-10-12(4)16-18-14(13(5)11(2)3)15(19-16)17(6,7)8/h11-13H,9-10H2,1-8H3,(H,18,19)
InChIKeyBLMRJJUHSWCQOC-UHFFFAOYSA-N
XLogP5.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.37
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-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole?
The IUPAC name of 4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole (CID 66723006) is 4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole.
What is the SMILES notation for 4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole?
The canonical SMILES for 4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole is CCCC(C)c1nc(C(C)(C)C)c(C(C)C(C)C)[nH]1.
What is the InChIKey of 4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole?
The InChIKey is BLMRJJUHSWCQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-9-10-12(4)16-18-14(13(5)11(2)3)15(19-16)17(6,7)8/h11-13H,9-10H2,1-8H3,(H,18,19).
What are the key properties of 4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole?
4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole has a molecular weight of 264.46 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole is sourced from PubChem (CID 66723006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).