1-hexyl-2,3,4,5-tetramethyl-2H-imidazole

C13H26N2 — CID 68589641

IUPAC1-hexyl-2,3,4,5-tetramethyl-2H-imidazole
SMILESCCCCCCN1C(C)=C(C)N(C)C1C
InChIInChI=1S/C13H26N2/c1-6-7-8-9-10-15-12(3)11(2)14(5)13(15)4/h13H,6-10H2,1-5H3
InChIKeyKGFZERKUJMIDLT-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.41
Rot. Bonds5

About 1-hexyl-2,3,4,5-tetramethyl-2H-imidazole

1-hexyl-2,3,4,5-tetramethyl-2H-imidazole (PubChem CID 68589641) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-hexyl-2,3,4,5-tetramethyl-2H-imidazole.

Molecular Properties

Compound Name1-hexyl-2,3,4,5-tetramethyl-2H-imidazole
PubChem CID68589641
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-hexyl-2,3,4,5-tetramethyl-2H-imidazole
SMILESCCCCCCN1C(C)=C(C)N(C)C1C
InChIInChI=1S/C13H26N2/c1-6-7-8-9-10-15-12(3)11(2)14(5)13(15)4/h13H,6-10H2,1-5H3
InChIKeyKGFZERKUJMIDLT-UHFFFAOYSA-N
XLogP3.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-hexyl-2,3,4,5-tetramethyl-2H-imidazole?
The IUPAC name of 1-hexyl-2,3,4,5-tetramethyl-2H-imidazole (CID 68589641) is 1-hexyl-2,3,4,5-tetramethyl-2H-imidazole.
What is the SMILES notation for 1-hexyl-2,3,4,5-tetramethyl-2H-imidazole?
The canonical SMILES for 1-hexyl-2,3,4,5-tetramethyl-2H-imidazole is CCCCCCN1C(C)=C(C)N(C)C1C.
What is the InChIKey of 1-hexyl-2,3,4,5-tetramethyl-2H-imidazole?
The InChIKey is KGFZERKUJMIDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-7-8-9-10-15-12(3)11(2)14(5)13(15)4/h13H,6-10H2,1-5H3.
What are the key properties of 1-hexyl-2,3,4,5-tetramethyl-2H-imidazole?
1-hexyl-2,3,4,5-tetramethyl-2H-imidazole has a molecular weight of 210.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2,3,4,5-tetramethyl-2H-imidazole is sourced from PubChem (CID 68589641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).