trisodium;1-butyl-3-methyl-2H-imidazole;phosphate

C8H16N2Na3O4P — CID 174105917

IUPACtrisodium;1-butyl-3-methyl-2H-imidazole;phosphate
SMILESCCCCN1C=CN(C)C1.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C8H16N2.3Na.H3O4P/c1-3-4-5-10-7-6-9(2)8-10;;;;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyVAITZRTXGJAKAH-UHFFFAOYSA-K
MW304.17 g/mol
LogP-10.35
Rot. Bonds3

About trisodium;1-butyl-3-methyl-2H-imidazole;phosphate

trisodium;1-butyl-3-methyl-2H-imidazole;phosphate (PubChem CID 174105917) has the molecular formula C8H16N2Na3O4P and a molecular weight of 304.17 g/mol. Its IUPAC name is trisodium;1-butyl-3-methyl-2H-imidazole;phosphate.

Molecular Properties

Compound Nametrisodium;1-butyl-3-methyl-2H-imidazole;phosphate
PubChem CID174105917
Molecular FormulaC8H16N2Na3O4P
Molecular Weight304.17 g/mol
Exact Mass304.05
IUPAC Nametrisodium;1-butyl-3-methyl-2H-imidazole;phosphate
SMILESCCCCN1C=CN(C)C1.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C8H16N2.3Na.H3O4P/c1-3-4-5-10-7-6-9(2)8-10;;;;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyVAITZRTXGJAKAH-UHFFFAOYSA-K
XLogP-10.35
TPSA92.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 5-10.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 175550645
CID 175550645
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
tripotassium;1-butyl-3-methyl-2H-imidazole;hydride
CID 174886963
1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
CID 173166047
1-butyl-3-methyl-2H-imidazole;lanthanum(3+);trinitrate
CID 174692909
1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate
CID 175710160
aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride
CID 172848443
1-butyl-3-methyl-2H-imidazole;phosphorous acid
CID 174659773
CID 174105864
CID 174105864
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
1-hexyl-3-methyl-2H-imidazole
CID 18513318

Frequently Asked Questions

What is the IUPAC name of trisodium;1-butyl-3-methyl-2H-imidazole;phosphate?
The IUPAC name of trisodium;1-butyl-3-methyl-2H-imidazole;phosphate (CID 174105917) is trisodium;1-butyl-3-methyl-2H-imidazole;phosphate.
What is the SMILES notation for trisodium;1-butyl-3-methyl-2H-imidazole;phosphate?
The canonical SMILES for trisodium;1-butyl-3-methyl-2H-imidazole;phosphate is CCCCN1C=CN(C)C1.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;1-butyl-3-methyl-2H-imidazole;phosphate?
The InChIKey is VAITZRTXGJAKAH-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H16N2.3Na.H3O4P/c1-3-4-5-10-7-6-9(2)8-10;;;;1-5(2,3)4/h6-7H,3-5,8H2,1-2H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of trisodium;1-butyl-3-methyl-2H-imidazole;phosphate?
trisodium;1-butyl-3-methyl-2H-imidazole;phosphate has a molecular weight of 304.17 g/mol, XLogP of -10.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;1-butyl-3-methyl-2H-imidazole;phosphate is sourced from PubChem (CID 174105917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).