2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium

C18H33N2+ — CID 172747712

IUPAC2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium
SMILESCCCCCCCCCCCCC=C[n+]1cc[nH]c1C
InChIInChI=1S/C18H32N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-19-18(20)2/h14-17H,3-13H2,1-2H3/p+1
InChIKeyJYIIPBKRRFHUFP-UHFFFAOYSA-O
MW277.48 g/mol
LogP5.39
Rot. Bonds12

About 2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium

2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium (PubChem CID 172747712) has the molecular formula C18H33N2+ and a molecular weight of 277.48 g/mol. Its IUPAC name is 2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium.

Molecular Properties

Compound Name2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium
PubChem CID172747712
Molecular FormulaC18H33N2+
Molecular Weight277.48 g/mol
Exact Mass277.26
IUPAC Name2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium
SMILESCCCCCCCCCCCCC=C[n+]1cc[nH]c1C
InChIInChI=1S/C18H32N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-19-18(20)2/h14-17H,3-13H2,1-2H3/p+1
InChIKeyJYIIPBKRRFHUFP-UHFFFAOYSA-O
XLogP5.39
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.48
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium 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

3-undec-1-enyl-1H-imidazol-3-ium
CID 172745963
bis(3-dodecyl-2-methyl-1H-imidazol-3-ium) dibromide
CID 67713981
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
1-[2-[(Z)-octadec-9-enyl]-1H-imidazol-3-ium-3-yl]ethanol
CID 141421691
2-[(Z)-icos-11-enyl]sulfanyl-3-methyl-1H-imidazol-3-ium
CID 132519830
1-octadec-1-enylpyridin-1-ium chloride
CID 67784202
(24Z)-hexatriaconta-9,24-diene
CID 173127472
nonacos-6-ene
CID 25200821
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium?
The IUPAC name of 2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium (CID 172747712) is 2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium.
What is the SMILES notation for 2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium?
The canonical SMILES for 2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium is CCCCCCCCCCCCC=C[n+]1cc[nH]c1C.
What is the InChIKey of 2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium?
The InChIKey is JYIIPBKRRFHUFP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H32N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-19-18(20)2/h14-17H,3-13H2,1-2H3/p+1.
What are the key properties of 2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium?
2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium has a molecular weight of 277.48 g/mol, XLogP of 5.39, 12 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium is sourced from PubChem (CID 172747712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).