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

C18H34N2 — CID 66723586

IUPAC2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
SMILESCCC(C)(C)c1nc(C(C)(C)C)[nH]c1C(C)(CC)CC
InChIInChI=1S/C18H34N2/c1-10-17(7,8)13-14(18(9,11-2)12-3)20-15(19-13)16(4,5)6/h10-12H2,1-9H3,(H,19,20)
InChIKeyQEPMYPNSCIODBV-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.47
Rot. Bonds5

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

2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole (PubChem CID 66723586) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole.

Molecular Properties

Compound Name2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
PubChem CID66723586
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
SMILESCCC(C)(C)c1nc(C(C)(C)C)[nH]c1C(C)(CC)CC
InChIInChI=1S/C18H34N2/c1-10-17(7,8)13-14(18(9,11-2)12-3)20-15(19-13)16(4,5)6/h10-12H2,1-9H3,(H,19,20)
InChIKeyQEPMYPNSCIODBV-UHFFFAOYSA-N
XLogP5.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole?
The IUPAC name of 2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole (CID 66723586) is 2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole.
What is the SMILES notation for 2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole?
The canonical SMILES for 2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole is CCC(C)(C)c1nc(C(C)(C)C)[nH]c1C(C)(CC)CC.
What is the InChIKey of 2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole?
The InChIKey is QEPMYPNSCIODBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-10-17(7,8)13-14(18(9,11-2)12-3)20-15(19-13)16(4,5)6/h10-12H2,1-9H3,(H,19,20).
What are the key properties of 2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole?
2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole has a molecular weight of 278.48 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole is sourced from PubChem (CID 66723586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).