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

C19H36N4 — CID 123479104

IUPAC1,2,4,5-tetramethyl-3-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole
SMILESCC1=C(C)N(CCCCCN2C(C)=C(C)N(C)C2C)C(C)N1C
InChIInChI=1S/C19H36N4/c1-14-16(3)22(18(5)20(14)7)12-10-9-11-13-23-17(4)15(2)21(8)19(23)6/h18-19H,9-13H2,1-8H3
InChIKeyWCGGAIATWORFBT-UHFFFAOYSA-N
MW320.53 g/mol
LogP3.85
Rot. Bonds6

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

1,2,4,5-tetramethyl-3-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole (PubChem CID 123479104) has the molecular formula C19H36N4 and a molecular weight of 320.53 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole
PubChem CID123479104
Molecular FormulaC19H36N4
Molecular Weight320.53 g/mol
Exact Mass320.29
IUPAC Name1,2,4,5-tetramethyl-3-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole
SMILESCC1=C(C)N(CCCCCN2C(C)=C(C)N(C)C2C)C(C)N1C
InChIInChI=1S/C19H36N4/c1-14-16(3)22(18(5)20(14)7)12-10-9-11-13-23-17(4)15(2)21(8)19(23)6/h18-19H,9-13H2,1-8H3
InChIKeyWCGGAIATWORFBT-UHFFFAOYSA-N
XLogP3.85
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 53.85
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-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole?
The IUPAC name of 1,2,4,5-tetramethyl-3-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole (CID 123479104) is 1,2,4,5-tetramethyl-3-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole.
What is the SMILES notation for 1,2,4,5-tetramethyl-3-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole?
The canonical SMILES for 1,2,4,5-tetramethyl-3-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole is CC1=C(C)N(CCCCCN2C(C)=C(C)N(C)C2C)C(C)N1C.
What is the InChIKey of 1,2,4,5-tetramethyl-3-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole?
The InChIKey is WCGGAIATWORFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4/c1-14-16(3)22(18(5)20(14)7)12-10-9-11-13-23-17(4)15(2)21(8)19(23)6/h18-19H,9-13H2,1-8H3.
What are the key properties of 1,2,4,5-tetramethyl-3-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole?
1,2,4,5-tetramethyl-3-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole has a molecular weight of 320.53 g/mol, XLogP of 3.85, 6 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-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole is sourced from PubChem (CID 123479104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).