5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole

C18H24N2 — CID 163939945

IUPAC5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole
SMILESCC/C(=C\c1cc(C(C)CC)ccc1C)c1cnc[nH]1
InChIInChI=1S/C18H24N2/c1-5-13(3)16-8-7-14(4)17(10-16)9-15(6-2)18-11-19-12-20-18/h7-13H,5-6H2,1-4H3,(H,19,20)/b15-9+
InChIKeyRQDIGLVHPDHIFO-OQLLNIDSSA-N
MW268.40 g/mol
LogP5.18
Rot. Bonds5

About 5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole

5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole (PubChem CID 163939945) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole
PubChem CID163939945
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole
SMILESCC/C(=C\c1cc(C(C)CC)ccc1C)c1cnc[nH]1
InChIInChI=1S/C18H24N2/c1-5-13(3)16-8-7-14(4)17(10-16)9-15(6-2)18-11-19-12-20-18/h7-13H,5-6H2,1-4H3,(H,19,20)/b15-9+
InChIKeyRQDIGLVHPDHIFO-OQLLNIDSSA-N
XLogP5.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole?
The IUPAC name of 5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole (CID 163939945) is 5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole.
What is the SMILES notation for 5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole?
The canonical SMILES for 5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole is CC/C(=C\c1cc(C(C)CC)ccc1C)c1cnc[nH]1.
What is the InChIKey of 5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole?
The InChIKey is RQDIGLVHPDHIFO-OQLLNIDSSA-N. The full InChI is InChI=1S/C18H24N2/c1-5-13(3)16-8-7-14(4)17(10-16)9-15(6-2)18-11-19-12-20-18/h7-13H,5-6H2,1-4H3,(H,19,20)/b15-9+.
What are the key properties of 5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole?
5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole has a molecular weight of 268.40 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-(5-butan-2-yl-2-methylphenyl)but-1-en-2-yl]-1H-imidazole is sourced from PubChem (CID 163939945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).