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

C23H46N2 — CID 175500745

IUPAC1-hexadecyl-2,3,4,5-tetramethyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C(C)=C(C)N(C)C1C
InChIInChI=1S/C23H46N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22(3)21(2)24(5)23(25)4/h23H,6-20H2,1-5H3
InChIKeyUAIQPJVOIACGOQ-UHFFFAOYSA-N
MW350.64 g/mol
LogP7.31
Rot. Bonds15

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

1-hexadecyl-2,3,4,5-tetramethyl-2H-imidazole (PubChem CID 175500745) has the molecular formula C23H46N2 and a molecular weight of 350.64 g/mol. Its IUPAC name is 1-hexadecyl-2,3,4,5-tetramethyl-2H-imidazole.

Molecular Properties

Compound Name1-hexadecyl-2,3,4,5-tetramethyl-2H-imidazole
PubChem CID175500745
Molecular FormulaC23H46N2
Molecular Weight350.64 g/mol
Exact Mass350.37
IUPAC Name1-hexadecyl-2,3,4,5-tetramethyl-2H-imidazole
SMILESCCCCCCCCCCCCCCCCN1C(C)=C(C)N(C)C1C
InChIInChI=1S/C23H46N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22(3)21(2)24(5)23(25)4/h23H,6-20H2,1-5H3
InChIKeyUAIQPJVOIACGOQ-UHFFFAOYSA-N
XLogP7.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 57.31
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-butyl-2,3,4,5-tetramethyl-2H-imidazole;hydrochloride
CID 173224703
2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590
1-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587
1-heptyl-2-hydroxy-2H-pyrrol-5-one
CID 14479801
3-butyl-1-heptylaziridin-2-one
CID 23178730
1-butyl-2-methyl-3-nonyl-2H-imidazole
CID 69387396

Frequently Asked Questions

What is the IUPAC name of 1-hexadecyl-2,3,4,5-tetramethyl-2H-imidazole?
The IUPAC name of 1-hexadecyl-2,3,4,5-tetramethyl-2H-imidazole (CID 175500745) is 1-hexadecyl-2,3,4,5-tetramethyl-2H-imidazole.
What is the SMILES notation for 1-hexadecyl-2,3,4,5-tetramethyl-2H-imidazole?
The canonical SMILES for 1-hexadecyl-2,3,4,5-tetramethyl-2H-imidazole is CCCCCCCCCCCCCCCCN1C(C)=C(C)N(C)C1C.
What is the InChIKey of 1-hexadecyl-2,3,4,5-tetramethyl-2H-imidazole?
The InChIKey is UAIQPJVOIACGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22(3)21(2)24(5)23(25)4/h23H,6-20H2,1-5H3.
What are the key properties of 1-hexadecyl-2,3,4,5-tetramethyl-2H-imidazole?
1-hexadecyl-2,3,4,5-tetramethyl-2H-imidazole has a molecular weight of 350.64 g/mol, XLogP of 7.31, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecyl-2,3,4,5-tetramethyl-2H-imidazole is sourced from PubChem (CID 175500745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).