1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole

C23H44N2O — CID 126578367

IUPAC1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
SMILESCC(C)(C)CCOCCCCCCCCCCCCCCn1ccnc1
InChIInChI=1S/C23H44N2O/c1-23(2,3)16-21-26-20-15-13-11-9-7-5-4-6-8-10-12-14-18-25-19-17-24-22-25/h17,19,22H,4-16,18,20-21H2,1-3H3
InChIKeyHGTRMMKXLJGXGF-UHFFFAOYSA-N
MW364.62 g/mol
LogP7.02
Rot. Bonds17

About 1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole

1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole (PubChem CID 126578367) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is 1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole.

Molecular Properties

Compound Name1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
PubChem CID126578367
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
SMILESCC(C)(C)CCOCCCCCCCCCCCCCCn1ccnc1
InChIInChI=1S/C23H44N2O/c1-23(2,3)16-21-26-20-15-13-11-9-7-5-4-6-8-10-12-14-18-25-19-17-24-22-25/h17,19,22H,4-16,18,20-21H2,1-3H3
InChIKeyHGTRMMKXLJGXGF-UHFFFAOYSA-N
XLogP7.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(11,11-dimethyldodecyl)imidazole
CID 118887404
1-[3-(2,2-dimethylpropoxy)propyl]imidazole
CID 166921523
1-(13-ethoxytridecyl)imidazole
CID 145255635
1-[8-(2-cyclohexylethoxy)octyl]imidazole
CID 54118364
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-(13,13,13-trimethoxytridecyl)imidazole
CID 151189637
4-imidazol-1-ylbutyl 2,2-dimethylpropanoate
CID 121289390
1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole
CID 118887732
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]imidazole
CID 66705550
1-nonylimidazole;hydrobromide
CID 175434544
3-(2-imidazol-1-ylethoxy)propan-1-amine
CID 106938071
1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride
CID 18921836

Frequently Asked Questions

What is the IUPAC name of 1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole?
The IUPAC name of 1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole (CID 126578367) is 1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole.
What is the SMILES notation for 1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole?
The canonical SMILES for 1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole is CC(C)(C)CCOCCCCCCCCCCCCCCn1ccnc1.
What is the InChIKey of 1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole?
The InChIKey is HGTRMMKXLJGXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O/c1-23(2,3)16-21-26-20-15-13-11-9-7-5-4-6-8-10-12-14-18-25-19-17-24-22-25/h17,19,22H,4-16,18,20-21H2,1-3H3.
What are the key properties of 1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole?
1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole has a molecular weight of 364.62 g/mol, XLogP of 7.02, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole is sourced from PubChem (CID 126578367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).