1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite

C6H15N2O3P — CID 175432447

IUPAC1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite
SMILESCN1C=CN(C)C1.COP(O)O
InChIInChI=1S/C5H10N2.CH5O3P/c1-6-3-4-7(2)5-6;1-4-5(2)3/h3-4H,5H2,1-2H3;2-3H,1H3
InChIKeyGIFNMYFOQKSIIE-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.14
Rot. Bonds1

About 1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite

1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite (PubChem CID 175432447) has the molecular formula C6H15N2O3P and a molecular weight of 194.17 g/mol. Its IUPAC name is 1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite.

Molecular Properties

Compound Name1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite
PubChem CID175432447
Molecular FormulaC6H15N2O3P
Molecular Weight194.17 g/mol
Exact Mass194.08
IUPAC Name1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite
SMILESCN1C=CN(C)C1.COP(O)O
InChIInChI=1S/C5H10N2.CH5O3P/c1-6-3-4-7(2)5-6;1-4-5(2)3/h3-4H,5H2,1-2H3;2-3H,1H3
InChIKeyGIFNMYFOQKSIIE-UHFFFAOYSA-N
XLogP0.14
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl carbonate;1,3-dimethyl-2H-imidazole
CID 175750899
1,3-dimethyl-2H-imidazole hexafluorophosphate
CID 158907533
1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide
CID 171376624
methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate
CID 123407176
3-methyl-2H-imidazole-1-carboxylic acid
CID 154232993
1-butyl-3-methyl-2H-imidazole;phosphorous acid
CID 174659773
1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrochloride
CID 173453785
1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
CID 174844241
diethyl hydrogen phosphate;1,3-dimethyl-2H-imidazole
CID 162039281
methyl 4-(3-methyl-2H-imidazol-1-yl)benzoate
CID 59413581
1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate
CID 174890882
N-ethyl-N,3-dimethyl-2H-imidazole-1-carboxamide;methyl hydrogen sulfate
CID 173032673

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite?
The IUPAC name of 1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite (CID 175432447) is 1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite.
What is the SMILES notation for 1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite?
The canonical SMILES for 1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite is CN1C=CN(C)C1.COP(O)O.
What is the InChIKey of 1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite?
The InChIKey is GIFNMYFOQKSIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.CH5O3P/c1-6-3-4-7(2)5-6;1-4-5(2)3/h3-4H,5H2,1-2H3;2-3H,1H3.
What are the key properties of 1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite?
1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite has a molecular weight of 194.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2H-imidazole;methyl dihydrogen phosphite is sourced from PubChem (CID 175432447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).