(1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium

C6H14N2O3P+ — CID 66832442

IUPAC(1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium
SMILESCN1C=CN(C)C1O[P+](C)(O)O
InChIInChI=1S/C6H14N2O3P/c1-7-4-5-8(2)6(7)11-12(3,9)10/h4-6,9-10H,1-3H3/q+1
InChIKeyLXCOIJBLJNLOMM-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.01
Rot. Bonds2

About (1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium

(1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium (PubChem CID 66832442) has the molecular formula C6H14N2O3P+ and a molecular weight of 193.16 g/mol. Its IUPAC name is (1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium.

Molecular Properties

Compound Name(1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium
PubChem CID66832442
Molecular FormulaC6H14N2O3P+
Molecular Weight193.16 g/mol
Exact Mass193.07
IUPAC Name(1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium
SMILESCN1C=CN(C)C1O[P+](C)(O)O
InChIInChI=1S/C6H14N2O3P/c1-7-4-5-8(2)6(7)11-12(3,9)10/h4-6,9-10H,1-3H3/q+1
InChIKeyLXCOIJBLJNLOMM-UHFFFAOYSA-N
XLogP0.01
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.01
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 (1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium?
The IUPAC name of (1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium (CID 66832442) is (1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium.
What is the SMILES notation for (1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium?
The canonical SMILES for (1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium is CN1C=CN(C)C1O[P+](C)(O)O.
What is the InChIKey of (1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium?
The InChIKey is LXCOIJBLJNLOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3P/c1-7-4-5-8(2)6(7)11-12(3,9)10/h4-6,9-10H,1-3H3/q+1.
What are the key properties of (1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium?
(1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium has a molecular weight of 193.16 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2H-imidazol-2-yl)oxy-dihydroxy-methylphosphanium is sourced from PubChem (CID 66832442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).