1-ethyl-3-methyl-2H-imidazole;phosphoric acid

C6H15N2O4P — CID 135221908

IUPAC1-ethyl-3-methyl-2H-imidazole;phosphoric acid
SMILESCCN1C=CN(C)C1.O=P(O)(O)O
InChIInChI=1S/C6H12N2.H3O4P/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-5H,3,6H2,1-2H3;(H3,1,2,3,4)
InChIKeyNNSZTUMGONXXNP-UHFFFAOYSA-N
MW210.17 g/mol
LogP-0.25
Rot. Bonds1

About 1-ethyl-3-methyl-2H-imidazole;phosphoric acid

1-ethyl-3-methyl-2H-imidazole;phosphoric acid (PubChem CID 135221908) has the molecular formula C6H15N2O4P and a molecular weight of 210.17 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-imidazole;phosphoric acid.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-imidazole;phosphoric acid
PubChem CID135221908
Molecular FormulaC6H15N2O4P
Molecular Weight210.17 g/mol
Exact Mass210.08
IUPAC Name1-ethyl-3-methyl-2H-imidazole;phosphoric acid
SMILESCCN1C=CN(C)C1.O=P(O)(O)O
InChIInChI=1S/C6H12N2.H3O4P/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-5H,3,6H2,1-2H3;(H3,1,2,3,4)
InChIKeyNNSZTUMGONXXNP-UHFFFAOYSA-N
XLogP-0.25
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cobalt;1-ethyl-3-methyl-2H-imidazole;methanone
CID 174605686
alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 174780208
acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 172844057
1-ethyl-3-methyl-2H-imidazole;propanoate
CID 162288775
1-ethyl-3-methyl-2H-imidazole formate
CID 162292973
1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)
CID 175554894
1-butyl-3-methyl-2H-imidazole;phosphoric acid;tetrafluoroborate
CID 175710160
azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate
CID 174106655
potassium;1-ethyl-3-methyl-2H-imidazole;hexafluorophosphate
CID 174903378
difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)
CID 160727359
1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane
CID 175320698
cyanamide;1-ethyl-3-methyl-2H-imidazole
CID 118007414

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-imidazole;phosphoric acid?
The IUPAC name of 1-ethyl-3-methyl-2H-imidazole;phosphoric acid (CID 135221908) is 1-ethyl-3-methyl-2H-imidazole;phosphoric acid.
What is the SMILES notation for 1-ethyl-3-methyl-2H-imidazole;phosphoric acid?
The canonical SMILES for 1-ethyl-3-methyl-2H-imidazole;phosphoric acid is CCN1C=CN(C)C1.O=P(O)(O)O.
What is the InChIKey of 1-ethyl-3-methyl-2H-imidazole;phosphoric acid?
The InChIKey is NNSZTUMGONXXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.H3O4P/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-5H,3,6H2,1-2H3;(H3,1,2,3,4).
What are the key properties of 1-ethyl-3-methyl-2H-imidazole;phosphoric acid?
1-ethyl-3-methyl-2H-imidazole;phosphoric acid has a molecular weight of 210.17 g/mol, XLogP of -0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-imidazole;phosphoric acid is sourced from PubChem (CID 135221908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).