(1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite

C6H13N2O3P — CID 66664292

IUPAC(1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite
SMILESCCN1C=CN(C)C1OP(O)O
InChIInChI=1S/C6H13N2O3P/c1-3-8-5-4-7(2)6(8)11-12(9)10/h4-6,9-10H,3H2,1-2H3
InChIKeyTUXSYCMAEYLDHH-UHFFFAOYSA-N
MW192.16 g/mol
LogP0.24
Rot. Bonds3

About (1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite

(1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite (PubChem CID 66664292) has the molecular formula C6H13N2O3P and a molecular weight of 192.16 g/mol. Its IUPAC name is (1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite.

Molecular Properties

Compound Name(1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite
PubChem CID66664292
Molecular FormulaC6H13N2O3P
Molecular Weight192.16 g/mol
Exact Mass192.07
IUPAC Name(1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite
SMILESCCN1C=CN(C)C1OP(O)O
InChIInChI=1S/C6H13N2O3P/c1-3-8-5-4-7(2)6(8)11-12(9)10/h4-6,9-10H,3H2,1-2H3
InChIKeyTUXSYCMAEYLDHH-UHFFFAOYSA-N
XLogP0.24
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite?
The IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite (CID 66664292) is (1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite.
What is the SMILES notation for (1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite?
The canonical SMILES for (1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite is CCN1C=CN(C)C1OP(O)O.
What is the InChIKey of (1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite?
The InChIKey is TUXSYCMAEYLDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2O3P/c1-3-8-5-4-7(2)6(8)11-12(9)10/h4-6,9-10H,3H2,1-2H3.
What are the key properties of (1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite?
(1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite has a molecular weight of 192.16 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methyl-2H-imidazol-2-yl) dihydrogen phosphite is sourced from PubChem (CID 66664292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).