1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate

C14H30FN2O4P — CID 174488008

IUPAC1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate
SMILESCCCCCCCCCCN1C=CN(C)C1.O=P(O)(O)OF
InChIInChI=1S/C14H28N2.FH2O4P/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;1-5-6(2,3)4/h12-13H,3-11,14H2,1-2H3;(H2,2,3,4)
InChIKeyWMGYULGEYXMLJC-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.78
Rot. Bonds10

About 1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate

1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate (PubChem CID 174488008) has the molecular formula C14H30FN2O4P and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate.

Molecular Properties

Compound Name1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate
PubChem CID174488008
Molecular FormulaC14H30FN2O4P
Molecular Weight340.38 g/mol
Exact Mass340.19
IUPAC Name1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate
SMILESCCCCCCCCCCN1C=CN(C)C1.O=P(O)(O)OF
InChIInChI=1S/C14H28N2.FH2O4P/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;1-5-6(2,3)4/h12-13H,3-11,14H2,1-2H3;(H2,2,3,4)
InChIKeyWMGYULGEYXMLJC-UHFFFAOYSA-N
XLogP3.78
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate 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

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
1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate
CID 175710160
1-hexyl-3-methyl-2H-imidazole acetate
CID 162278554
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
CID 175550645
CID 175550645
dichlorozinc;1-hexyl-3-methyl-2H-imidazole
CID 174760028

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate?
The IUPAC name of 1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate (CID 174488008) is 1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate.
What is the SMILES notation for 1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate?
The canonical SMILES for 1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate is CCCCCCCCCCN1C=CN(C)C1.O=P(O)(O)OF.
What is the InChIKey of 1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate?
The InChIKey is WMGYULGEYXMLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.FH2O4P/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;1-5-6(2,3)4/h12-13H,3-11,14H2,1-2H3;(H2,2,3,4).
What are the key properties of 1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate?
1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate has a molecular weight of 340.38 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-methyl-2H-imidazole;fluoro dihydrogen phosphate is sourced from PubChem (CID 174488008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).