1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride

C16H33F2N3O2S — CID 175445474

IUPAC1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride
SMILESCCCCCCCCCCCCN1C=CN(C)C1.O=S(=O)(F)NF
InChIInChI=1S/C16H32N2.F2HNO2S/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;1-3-6(2,4)5/h14-15H,3-13,16H2,1-2H3;3H
InChIKeyIYUJCGPENFISPB-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.26
Rot. Bonds12

About 1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride

1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride (PubChem CID 175445474) has the molecular formula C16H33F2N3O2S and a molecular weight of 369.52 g/mol. Its IUPAC name is 1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride.

Molecular Properties

Compound Name1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride
PubChem CID175445474
Molecular FormulaC16H33F2N3O2S
Molecular Weight369.52 g/mol
Exact Mass369.23
IUPAC Name1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride
SMILESCCCCCCCCCCCCN1C=CN(C)C1.O=S(=O)(F)NF
InChIInChI=1S/C16H32N2.F2HNO2S/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;1-3-6(2,4)5/h14-15H,3-13,16H2,1-2H3;3H
InChIKeyIYUJCGPENFISPB-UHFFFAOYSA-N
XLogP4.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride
CID 175445471
1-hexadecyl-3-methyl-2H-imidazole;methanesulfonic acid
CID 174775382
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-octyl-2H-imidazole;bis(trifluoromethanesulfonic acid)
CID 175946209
1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
1-decyl-3-methyl-2H-imidazole;hydrofluoride
CID 174870192
1-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129
1,1,1,5,5,5-hexafluoropentane-2,4-dione;1-methyl-3-octyl-2H-imidazole
CID 160861168
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride?
The IUPAC name of 1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride (CID 175445474) is 1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride.
What is the SMILES notation for 1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride?
The canonical SMILES for 1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride is CCCCCCCCCCCCN1C=CN(C)C1.O=S(=O)(F)NF.
What is the InChIKey of 1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride?
The InChIKey is IYUJCGPENFISPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.F2HNO2S/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;1-3-6(2,4)5/h14-15H,3-13,16H2,1-2H3;3H.
What are the key properties of 1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride?
1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride has a molecular weight of 369.52 g/mol, XLogP of 4.26, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-methyl-2H-imidazole;N-fluorosulfamoyl fluoride is sourced from PubChem (CID 175445474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).