2-methyl-1-octadec-9-enylimidazole

C22H40N2 — CID 54514402

IUPAC2-methyl-1-octadec-9-enylimidazole
SMILESCCCCCCCCC=CCCCCCCCCn1ccnc1C
InChIInChI=1S/C22H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-23-22(24)2/h10-11,19,21H,3-9,12-18,20H2,1-2H3
InChIKeyYLJUEHJAJHCQTQ-UHFFFAOYSA-N
MW332.58 g/mol
LogP7.23
Rot. Bonds16

About 2-methyl-1-octadec-9-enylimidazole

2-methyl-1-octadec-9-enylimidazole (PubChem CID 54514402) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 2-methyl-1-octadec-9-enylimidazole.

Molecular Properties

Compound Name2-methyl-1-octadec-9-enylimidazole
PubChem CID54514402
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name2-methyl-1-octadec-9-enylimidazole
SMILESCCCCCCCCC=CCCCCCCCCn1ccnc1C
InChIInChI=1S/C22H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-23-22(24)2/h10-11,19,21H,3-9,12-18,20H2,1-2H3
InChIKeyYLJUEHJAJHCQTQ-UHFFFAOYSA-N
XLogP7.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-octadec-9-enylimidazole with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-1-octylimidazole;hydrate
CID 174602652
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
fluoroform;1-hexyl-2-methylimidazole
CID 174860235
1-hexyl-2-methylimidazole;bis(1-methylimidazole);hydroiodide
CID 175335036
1-butyl-2-methylimidazole;(9Z,12Z)-2,2,3,3,4,4-hexafluorooctadeca-9,12-dienoic acid
CID 159183487
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
1-(2-butoxyethyl)-2-methylimidazole
CID 63810504
1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-octadec-9-enylimidazole?
The IUPAC name of 2-methyl-1-octadec-9-enylimidazole (CID 54514402) is 2-methyl-1-octadec-9-enylimidazole.
What is the SMILES notation for 2-methyl-1-octadec-9-enylimidazole?
The canonical SMILES for 2-methyl-1-octadec-9-enylimidazole is CCCCCCCCC=CCCCCCCCCn1ccnc1C.
What is the InChIKey of 2-methyl-1-octadec-9-enylimidazole?
The InChIKey is YLJUEHJAJHCQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-23-22(24)2/h10-11,19,21H,3-9,12-18,20H2,1-2H3.
What are the key properties of 2-methyl-1-octadec-9-enylimidazole?
2-methyl-1-octadec-9-enylimidazole has a molecular weight of 332.58 g/mol, XLogP of 7.23, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-octadec-9-enylimidazole is sourced from PubChem (CID 54514402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).