5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole

C18H26N2 — CID 177226910

IUPAC5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole
SMILESCCCCC(CCC)c1ncc(-c2ccc(C)cc2)[nH]1
InChIInChI=1S/C18H26N2/c1-4-6-8-16(7-5-2)18-19-13-17(20-18)15-11-9-14(3)10-12-15/h9-13,16H,4-8H2,1-3H3,(H,19,20)
InChIKeyBEJWHBJKMASWBT-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.46
Rot. Bonds7

About 5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole

5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole (PubChem CID 177226910) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole
PubChem CID177226910
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole
SMILESCCCCC(CCC)c1ncc(-c2ccc(C)cc2)[nH]1
InChIInChI=1S/C18H26N2/c1-4-6-8-16(7-5-2)18-19-13-17(20-18)15-11-9-14(3)10-12-15/h9-13,16H,4-8H2,1-3H3,(H,19,20)
InChIKeyBEJWHBJKMASWBT-UHFFFAOYSA-N
XLogP5.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole?
The IUPAC name of 5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole (CID 177226910) is 5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole.
What is the SMILES notation for 5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole?
The canonical SMILES for 5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole is CCCCC(CCC)c1ncc(-c2ccc(C)cc2)[nH]1.
What is the InChIKey of 5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole?
The InChIKey is BEJWHBJKMASWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-6-8-16(7-5-2)18-19-13-17(20-18)15-11-9-14(3)10-12-15/h9-13,16H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole?
5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole has a molecular weight of 270.42 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-octan-4-yl-1H-imidazole is sourced from PubChem (CID 177226910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).