1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate

C20H40BF4N2- — CID 159038407

IUPAC1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
SMILESCCCCCCCCCCCCCCCCN1C=CN(C)C1.F[B-](F)(F)F
InChIInChI=1S/C20H40N2.BF4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;2-1(3,4)5/h18-19H,3-17,20H2,1-2H3;/q;-1
InChIKeyJVSWUGOZGXWPGD-UHFFFAOYSA-N
MW395.36 g/mol
LogP7.44
Rot. Bonds15

About 1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate

1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate (PubChem CID 159038407) has the molecular formula C20H40BF4N2- and a molecular weight of 395.36 g/mol. Its IUPAC name is 1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate.

Molecular Properties

Compound Name1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
PubChem CID159038407
Molecular FormulaC20H40BF4N2-
Molecular Weight395.36 g/mol
Exact Mass395.32
IUPAC Name1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
SMILESCCCCCCCCCCCCCCCCN1C=CN(C)C1.F[B-](F)(F)F
InChIInChI=1S/C20H40N2.BF4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;2-1(3,4)5/h18-19H,3-17,20H2,1-2H3;/q;-1
InChIKeyJVSWUGOZGXWPGD-UHFFFAOYSA-N
XLogP7.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.36
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate 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

zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
fluoromethane;1-hexyl-3-methyl-2H-imidazole
CID 174715359
1-hexyl-3-methyl-2H-imidazole
CID 18513318
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841
1-decyl-3-methyl-2H-imidazole;hydrofluoride
CID 174870192
1-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129
dichlorozinc;1-hexyl-3-methyl-2H-imidazole
CID 174760028
1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium
CID 162018722
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate
CID 175710160

Frequently Asked Questions

What is the IUPAC name of 1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate?
The IUPAC name of 1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate (CID 159038407) is 1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate.
What is the SMILES notation for 1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate?
The canonical SMILES for 1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate is CCCCCCCCCCCCCCCCN1C=CN(C)C1.F[B-](F)(F)F.
What is the InChIKey of 1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate?
The InChIKey is JVSWUGOZGXWPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2.BF4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;2-1(3,4)5/h18-19H,3-17,20H2,1-2H3;/q;-1.
What are the key properties of 1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate?
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate has a molecular weight of 395.36 g/mol, XLogP of 7.44, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate is sourced from PubChem (CID 159038407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).