1-octadecylimidazole

C21H40N2 — CID 550131

IUPAC1-octadecylimidazole
SMILESCCCCCCCCCCCCCCCCCCn1ccnc1
InChIInChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23/h18,20-21H,2-17,19H2,1H3
InChIKeyMCIREKWIOYZQCC-UHFFFAOYSA-N
MW320.56 g/mol
LogP7.14
Rot. Bonds17

About 1-octadecylimidazole

1-octadecylimidazole (PubChem CID 550131) has the molecular formula C21H40N2 and a molecular weight of 320.56 g/mol. Its IUPAC name is 1-octadecylimidazole.

Molecular Properties

Compound Name1-octadecylimidazole
PubChem CID550131
Molecular FormulaC21H40N2
Molecular Weight320.56 g/mol
Exact Mass320.32
IUPAC Name1-octadecylimidazole
SMILESCCCCCCCCCCCCCCCCCCn1ccnc1
InChIInChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23/h18,20-21H,2-17,19H2,1H3
InChIKeyMCIREKWIOYZQCC-UHFFFAOYSA-N
XLogP7.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-octadecylimidazole 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-octadecylimidazole?
The IUPAC name of 1-octadecylimidazole (CID 550131) is 1-octadecylimidazole.
What is the SMILES notation for 1-octadecylimidazole?
The canonical SMILES for 1-octadecylimidazole is CCCCCCCCCCCCCCCCCCn1ccnc1.
What is the InChIKey of 1-octadecylimidazole?
The InChIKey is MCIREKWIOYZQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23/h18,20-21H,2-17,19H2,1H3.
What are the key properties of 1-octadecylimidazole?
1-octadecylimidazole has a molecular weight of 320.56 g/mol, XLogP of 7.14, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadecylimidazole is sourced from PubChem (CID 550131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).