1-decyl-3-methyl-2H-imidazole;hydrofluoride

C14H29FN2 — CID 174870192

IUPAC1-decyl-3-methyl-2H-imidazole;hydrofluoride
SMILESCCCCCCCCCCN1C=CN(C)C1.F
InChIInChI=1S/C14H28N2.FH/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;/h12-13H,3-11,14H2,1-2H3;1H
InChIKeyDLJFMZWPUMNOON-UHFFFAOYSA-N
MW244.40 g/mol
LogP3.96
Rot. Bonds9

About 1-decyl-3-methyl-2H-imidazole;hydrofluoride

1-decyl-3-methyl-2H-imidazole;hydrofluoride (PubChem CID 174870192) has the molecular formula C14H29FN2 and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-decyl-3-methyl-2H-imidazole;hydrofluoride.

Molecular Properties

Compound Name1-decyl-3-methyl-2H-imidazole;hydrofluoride
PubChem CID174870192
Molecular FormulaC14H29FN2
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Name1-decyl-3-methyl-2H-imidazole;hydrofluoride
SMILESCCCCCCCCCCN1C=CN(C)C1.F
InChIInChI=1S/C14H28N2.FH/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;/h12-13H,3-11,14H2,1-2H3;1H
InChIKeyDLJFMZWPUMNOON-UHFFFAOYSA-N
XLogP3.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129
fluoromethane;1-hexyl-3-methyl-2H-imidazole
CID 174715359
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
dichlorozinc;1-hexyl-3-methyl-2H-imidazole
CID 174760028
1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium
CID 162018722
1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
CID 173166047
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-hexyl-3-methyl-2H-imidazole acetate
CID 162278554

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-methyl-2H-imidazole;hydrofluoride?
The IUPAC name of 1-decyl-3-methyl-2H-imidazole;hydrofluoride (CID 174870192) is 1-decyl-3-methyl-2H-imidazole;hydrofluoride.
What is the SMILES notation for 1-decyl-3-methyl-2H-imidazole;hydrofluoride?
The canonical SMILES for 1-decyl-3-methyl-2H-imidazole;hydrofluoride is CCCCCCCCCCN1C=CN(C)C1.F.
What is the InChIKey of 1-decyl-3-methyl-2H-imidazole;hydrofluoride?
The InChIKey is DLJFMZWPUMNOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.FH/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;/h12-13H,3-11,14H2,1-2H3;1H.
What are the key properties of 1-decyl-3-methyl-2H-imidazole;hydrofluoride?
1-decyl-3-methyl-2H-imidazole;hydrofluoride has a molecular weight of 244.40 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-methyl-2H-imidazole;hydrofluoride is sourced from PubChem (CID 174870192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).