1-hexadecyl-3,4,5-trimethyl-2H-imidazole

C22H44N2 — CID 68968016

IUPAC1-hexadecyl-3,4,5-trimethyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1CN(C)C(C)=C1C
InChIInChI=1S/C22H44N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-23(4)21(2)22(24)3/h5-20H2,1-4H3
InChIKeyCDNCUOVHGNODMO-UHFFFAOYSA-N
MW336.61 g/mol
LogP6.92
Rot. Bonds15

About 1-hexadecyl-3,4,5-trimethyl-2H-imidazole

1-hexadecyl-3,4,5-trimethyl-2H-imidazole (PubChem CID 68968016) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 1-hexadecyl-3,4,5-trimethyl-2H-imidazole.

Molecular Properties

Compound Name1-hexadecyl-3,4,5-trimethyl-2H-imidazole
PubChem CID68968016
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name1-hexadecyl-3,4,5-trimethyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1CN(C)C(C)=C1C
InChIInChI=1S/C22H44N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-23(4)21(2)22(24)3/h5-20H2,1-4H3
InChIKeyCDNCUOVHGNODMO-UHFFFAOYSA-N
XLogP6.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 56.92
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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Related Compounds

1,4,5-trimethyl-3-octyl-2H-imidazole
CID 21321827
1-hexyl-2,3,4,5-tetramethyl-2H-imidazole
CID 68589641
1,2,4,5-tetramethyl-3-pentyl-2H-imidazole
CID 68589687
1-decyl-3,4,5-trimethyl-2H-imidazole
CID 68896282
1-dodecyl-3,4,5-trimethyl-2H-imidazole
CID 68897565
1-hexyl-3,4,5-trimethyl-2H-imidazole
CID 68899164
1,4,5-trimethyl-3-tetradecyl-2H-imidazole
CID 91543512
1,4,5-trimethyl-3-octadecyl-2H-imidazole
CID 91551336
1,2,4,5-tetramethyl-3-[5-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)pentyl]-2H-imidazole
CID 123479104
1,2,4,5-tetramethyl-3-[6-(2,3,4,5-tetramethyl-2H-imidazol-1-yl)hexyl]-2H-imidazole
CID 123997327
N'-ethyl-N-methyl-N-nonyl-N'-prop-1-en-2-ylmethanediamine
CID 132156713
1-N,1-N,1-N',1-N',2-N,2-N-hexaethylundec-1-ene-1,1,2-triamine
CID 150751805

Frequently Asked Questions

What is the IUPAC name of 1-hexadecyl-3,4,5-trimethyl-2H-imidazole?
The IUPAC name of 1-hexadecyl-3,4,5-trimethyl-2H-imidazole (CID 68968016) is 1-hexadecyl-3,4,5-trimethyl-2H-imidazole.
What is the SMILES notation for 1-hexadecyl-3,4,5-trimethyl-2H-imidazole?
The canonical SMILES for 1-hexadecyl-3,4,5-trimethyl-2H-imidazole is CCCCCCCCCCCCCCCCN1CN(C)C(C)=C1C.
What is the InChIKey of 1-hexadecyl-3,4,5-trimethyl-2H-imidazole?
The InChIKey is CDNCUOVHGNODMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-23(4)21(2)22(24)3/h5-20H2,1-4H3.
What are the key properties of 1-hexadecyl-3,4,5-trimethyl-2H-imidazole?
1-hexadecyl-3,4,5-trimethyl-2H-imidazole has a molecular weight of 336.61 g/mol, XLogP of 6.92, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecyl-3,4,5-trimethyl-2H-imidazole is sourced from PubChem (CID 68968016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).