1-(13-ethoxytridecyl)imidazole

C18H34N2O — CID 145255635

IUPAC1-(13-ethoxytridecyl)imidazole
SMILESCCOCCCCCCCCCCCCCn1ccnc1
InChIInChI=1S/C18H34N2O/c1-2-21-17-13-11-9-7-5-3-4-6-8-10-12-15-20-16-14-19-18-20/h14,16,18H,2-13,15,17H2,1H3
InChIKeyZRDLOSIJKAOCKP-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.21
Rot. Bonds15

About 1-(13-ethoxytridecyl)imidazole

1-(13-ethoxytridecyl)imidazole (PubChem CID 145255635) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(13-ethoxytridecyl)imidazole.

Molecular Properties

Compound Name1-(13-ethoxytridecyl)imidazole
PubChem CID145255635
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-(13-ethoxytridecyl)imidazole
SMILESCCOCCCCCCCCCCCCCn1ccnc1
InChIInChI=1S/C18H34N2O/c1-2-21-17-13-11-9-7-5-3-4-6-8-10-12-15-20-16-14-19-18-20/h14,16,18H,2-13,15,17H2,1H3
InChIKeyZRDLOSIJKAOCKP-UHFFFAOYSA-N
XLogP5.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.21
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-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
CID 126578367
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-nonylimidazole;hydrobromide
CID 175434544
1-(dodecoxymethyl)imidazole
CID 102264585
1-[3-(2,2-dimethylpropoxy)propyl]imidazole
CID 166921523
1-[8-(2-cyclohexylethoxy)octyl]imidazole
CID 54118364
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
carbonic acid;1-dodecylimidazole
CID 175596781
1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride
CID 18921836
1-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
CID 111222590
acetic acid;1-decylimidazole
CID 175546754
triethoxy(3-imidazol-1-ylpropyl)silane
CID 3017411

Frequently Asked Questions

What is the IUPAC name of 1-(13-ethoxytridecyl)imidazole?
The IUPAC name of 1-(13-ethoxytridecyl)imidazole (CID 145255635) is 1-(13-ethoxytridecyl)imidazole.
What is the SMILES notation for 1-(13-ethoxytridecyl)imidazole?
The canonical SMILES for 1-(13-ethoxytridecyl)imidazole is CCOCCCCCCCCCCCCCn1ccnc1.
What is the InChIKey of 1-(13-ethoxytridecyl)imidazole?
The InChIKey is ZRDLOSIJKAOCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-21-17-13-11-9-7-5-3-4-6-8-10-12-15-20-16-14-19-18-20/h14,16,18H,2-13,15,17H2,1H3.
What are the key properties of 1-(13-ethoxytridecyl)imidazole?
1-(13-ethoxytridecyl)imidazole has a molecular weight of 294.48 g/mol, XLogP of 5.21, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(13-ethoxytridecyl)imidazole is sourced from PubChem (CID 145255635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).