4,5-dihydroimidazol-1-yl dihydrogen phosphite

C3H7N2O3P — CID 57267775

IUPAC4,5-dihydroimidazol-1-yl dihydrogen phosphite
SMILESOP(O)ON1C=NCC1
InChIInChI=1S/C3H7N2O3P/c6-9(7)8-5-2-1-4-3-5/h3,6-7H,1-2H2
InChIKeyCYGJGASNAHVOEJ-UHFFFAOYSA-N
MW150.07 g/mol
LogP-0.53
Rot. Bonds2

About 4,5-dihydroimidazol-1-yl dihydrogen phosphite

4,5-dihydroimidazol-1-yl dihydrogen phosphite (PubChem CID 57267775) has the molecular formula C3H7N2O3P and a molecular weight of 150.07 g/mol. Its IUPAC name is 4,5-dihydroimidazol-1-yl dihydrogen phosphite.

Molecular Properties

Compound Name4,5-dihydroimidazol-1-yl dihydrogen phosphite
PubChem CID57267775
Molecular FormulaC3H7N2O3P
Molecular Weight150.07 g/mol
Exact Mass150.02
IUPAC Name4,5-dihydroimidazol-1-yl dihydrogen phosphite
SMILESOP(O)ON1C=NCC1
InChIInChI=1S/C3H7N2O3P/c6-9(7)8-5-2-1-4-3-5/h3,6-7H,1-2H2
InChIKeyCYGJGASNAHVOEJ-UHFFFAOYSA-N
XLogP-0.53
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 5-0.53
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 4,5-dihydroimidazol-1-yl dihydrogen phosphite?
The IUPAC name of 4,5-dihydroimidazol-1-yl dihydrogen phosphite (CID 57267775) is 4,5-dihydroimidazol-1-yl dihydrogen phosphite.
What is the SMILES notation for 4,5-dihydroimidazol-1-yl dihydrogen phosphite?
The canonical SMILES for 4,5-dihydroimidazol-1-yl dihydrogen phosphite is OP(O)ON1C=NCC1.
What is the InChIKey of 4,5-dihydroimidazol-1-yl dihydrogen phosphite?
The InChIKey is CYGJGASNAHVOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N2O3P/c6-9(7)8-5-2-1-4-3-5/h3,6-7H,1-2H2.
What are the key properties of 4,5-dihydroimidazol-1-yl dihydrogen phosphite?
4,5-dihydroimidazol-1-yl dihydrogen phosphite has a molecular weight of 150.07 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazol-1-yl dihydrogen phosphite is sourced from PubChem (CID 57267775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).