5-(5-methylundecan-5-yl)-1H-imidazole

C15H28N2 — CID 166683864

IUPAC5-(5-methylundecan-5-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCC)c1cnc[nH]1
InChIInChI=1S/C15H28N2/c1-4-6-8-9-11-15(3,10-7-5-2)14-12-16-13-17-14/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyNHBHHOGOJVXLJN-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.83
Rot. Bonds9

About 5-(5-methylundecan-5-yl)-1H-imidazole

5-(5-methylundecan-5-yl)-1H-imidazole (PubChem CID 166683864) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 5-(5-methylundecan-5-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(5-methylundecan-5-yl)-1H-imidazole
PubChem CID166683864
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name5-(5-methylundecan-5-yl)-1H-imidazole
SMILESCCCCCCC(C)(CCCC)c1cnc[nH]1
InChIInChI=1S/C15H28N2/c1-4-6-8-9-11-15(3,10-7-5-2)14-12-16-13-17-14/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyNHBHHOGOJVXLJN-UHFFFAOYSA-N
XLogP4.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylundecan-5-yl)-1H-imidazole?
The IUPAC name of 5-(5-methylundecan-5-yl)-1H-imidazole (CID 166683864) is 5-(5-methylundecan-5-yl)-1H-imidazole.
What is the SMILES notation for 5-(5-methylundecan-5-yl)-1H-imidazole?
The canonical SMILES for 5-(5-methylundecan-5-yl)-1H-imidazole is CCCCCCC(C)(CCCC)c1cnc[nH]1.
What is the InChIKey of 5-(5-methylundecan-5-yl)-1H-imidazole?
The InChIKey is NHBHHOGOJVXLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-6-8-9-11-15(3,10-7-5-2)14-12-16-13-17-14/h12-13H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 5-(5-methylundecan-5-yl)-1H-imidazole?
5-(5-methylundecan-5-yl)-1H-imidazole has a molecular weight of 236.40 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylundecan-5-yl)-1H-imidazole is sourced from PubChem (CID 166683864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).