1-imidazol-1-ylethyl tetradecanoate

C19H34N2O2 — CID 68745438

IUPAC1-imidazol-1-ylethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(C)n1ccnc1
InChIInChI=1S/C19H34N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(22)23-18(2)21-16-15-20-17-21/h15-18H,3-14H2,1-2H3
InChIKeyLINNUSCVVYVOLU-UHFFFAOYSA-N
MW322.49 g/mol
LogP5.65
Rot. Bonds14

About 1-imidazol-1-ylethyl tetradecanoate

1-imidazol-1-ylethyl tetradecanoate (PubChem CID 68745438) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-imidazol-1-ylethyl tetradecanoate.

Molecular Properties

Compound Name1-imidazol-1-ylethyl tetradecanoate
PubChem CID68745438
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name1-imidazol-1-ylethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC(C)n1ccnc1
InChIInChI=1S/C19H34N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(22)23-18(2)21-16-15-20-17-21/h15-18H,3-14H2,1-2H3
InChIKeyLINNUSCVVYVOLU-UHFFFAOYSA-N
XLogP5.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.65
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-imidazol-1-ylethyl tetradecanoate?
The IUPAC name of 1-imidazol-1-ylethyl tetradecanoate (CID 68745438) is 1-imidazol-1-ylethyl tetradecanoate.
What is the SMILES notation for 1-imidazol-1-ylethyl tetradecanoate?
The canonical SMILES for 1-imidazol-1-ylethyl tetradecanoate is CCCCCCCCCCCCCC(=O)OC(C)n1ccnc1.
What is the InChIKey of 1-imidazol-1-ylethyl tetradecanoate?
The InChIKey is LINNUSCVVYVOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(22)23-18(2)21-16-15-20-17-21/h15-18H,3-14H2,1-2H3.
What are the key properties of 1-imidazol-1-ylethyl tetradecanoate?
1-imidazol-1-ylethyl tetradecanoate has a molecular weight of 322.49 g/mol, XLogP of 5.65, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-ylethyl tetradecanoate is sourced from PubChem (CID 68745438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).