2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole

C18H34N2 — CID 66723183

IUPAC2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole
SMILESCCCCC(C)(C)c1[nH]c(C(C)CC)nc1C(C)(C)C
InChIInChI=1S/C18H34N2/c1-9-11-12-18(7,8)15-14(17(4,5)6)19-16(20-15)13(3)10-2/h13H,9-12H2,1-8H3,(H,19,20)
InChIKeyFONNBXNKNSXUIO-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.69
Rot. Bonds6

About 2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole

2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole (PubChem CID 66723183) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole
PubChem CID66723183
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole
SMILESCCCCC(C)(C)c1[nH]c(C(C)CC)nc1C(C)(C)C
InChIInChI=1S/C18H34N2/c1-9-11-12-18(7,8)15-14(17(4,5)6)19-16(20-15)13(3)10-2/h13H,9-12H2,1-8H3,(H,19,20)
InChIKeyFONNBXNKNSXUIO-UHFFFAOYSA-N
XLogP5.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole
CID 66723018
4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole
CID 66723108
4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole
CID 66723647
2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole
CID 66723348
2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole
CID 66722943
2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole
CID 66723113
2-butan-2-yl-5-(5-methylhexyl)-4-(2-methylpentan-2-yl)-1H-imidazole
CID 66723585
4-tert-butyl-2-(2-methylheptan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
CID 162062572
2-butan-2-yl-5-tert-butyl-1H-imidazo[4,5-b]pyridine
CID 167252600
4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 66723143
4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole
CID 66723006
4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole
CID 66723308

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole?
The IUPAC name of 2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole (CID 66723183) is 2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole.
What is the SMILES notation for 2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole?
The canonical SMILES for 2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole is CCCCC(C)(C)c1[nH]c(C(C)CC)nc1C(C)(C)C.
What is the InChIKey of 2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole?
The InChIKey is FONNBXNKNSXUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-9-11-12-18(7,8)15-14(17(4,5)6)19-16(20-15)13(3)10-2/h13H,9-12H2,1-8H3,(H,19,20).
What are the key properties of 2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole?
2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole has a molecular weight of 278.48 g/mol, XLogP of 5.69, 6 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-(2-methylhexan-2-yl)-1H-imidazole is sourced from PubChem (CID 66723183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).