1-tetradecylimidazole

C17H32N2 — CID 3016846

IUPAC1-tetradecylimidazole
SMILESCCCCCCCCCCCCCCn1ccnc1
InChIInChI=1S/C17H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-18-17-19/h14,16-17H,2-13,15H2,1H3
InChIKeyTZMGRMKTZVQDMX-UHFFFAOYSA-N
MW264.46 g/mol
LogP5.58
Rot. Bonds13

About 1-tetradecylimidazole

1-tetradecylimidazole (PubChem CID 3016846) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-tetradecylimidazole.

Molecular Properties

Compound Name1-tetradecylimidazole
PubChem CID3016846
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-tetradecylimidazole
SMILESCCCCCCCCCCCCCCn1ccnc1
InChIInChI=1S/C17H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-18-17-19/h14,16-17H,2-13,15H2,1H3
InChIKeyTZMGRMKTZVQDMX-UHFFFAOYSA-N
XLogP5.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-tetradecylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tetradecylimidazole?
The IUPAC name of 1-tetradecylimidazole (CID 3016846) is 1-tetradecylimidazole.
What is the SMILES notation for 1-tetradecylimidazole?
The canonical SMILES for 1-tetradecylimidazole is CCCCCCCCCCCCCCn1ccnc1.
What is the InChIKey of 1-tetradecylimidazole?
The InChIKey is TZMGRMKTZVQDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-18-17-19/h14,16-17H,2-13,15H2,1H3.
What are the key properties of 1-tetradecylimidazole?
1-tetradecylimidazole has a molecular weight of 264.46 g/mol, XLogP of 5.58, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecylimidazole is sourced from PubChem (CID 3016846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).