1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole

C20H38N4 — CID 123997327

IUPAC1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole
SMILESCC1=C(C)N(CCCCCCN2C(C)=C(C)N(C)C2C)C(C)N1C
InChIInChI=1S/C20H38N4/c1-15-17(3)23(19(5)21(15)7)13-11-9-10-12-14-24-18(4)16(2)22(8)20(24)6/h19-20H,9-14H2,1-8H3
InChIKeyJXQXJQSSVVQTND-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.24
Rot. Bonds7

About 1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole

1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole (PubChem CID 123997327) has the molecular formula C20H38N4 and a molecular weight of 334.55 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole
PubChem CID123997327
Molecular FormulaC20H38N4
Molecular Weight334.55 g/mol
Exact Mass334.31
IUPAC Name1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole
SMILESCC1=C(C)N(CCCCCCN2C(C)=C(C)N(C)C2C)C(C)N1C
InChIInChI=1S/C20H38N4/c1-15-17(3)23(19(5)21(15)7)13-11-9-10-12-14-24-18(4)16(2)22(8)20(24)6/h19-20H,9-14H2,1-8H3
InChIKeyJXQXJQSSVVQTND-UHFFFAOYSA-N
XLogP4.24
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole?
The IUPAC name of 1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole (CID 123997327) is 1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole.
What is the SMILES notation for 1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole?
The canonical SMILES for 1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole is CC1=C(C)N(CCCCCCN2C(C)=C(C)N(C)C2C)C(C)N1C.
What is the InChIKey of 1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole?
The InChIKey is JXQXJQSSVVQTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4/c1-15-17(3)23(19(5)21(15)7)13-11-9-10-12-14-24-18(4)16(2)22(8)20(24)6/h19-20H,9-14H2,1-8H3.
What are the key properties of 1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole?
1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole has a molecular weight of 334.55 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole is sourced from PubChem (CID 123997327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).