1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole

C4H8N2O — CID 87577131

IUPAC1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole
SMILES[2H]COC1=NC([2H])C([2H])N1[2H]
InChIInChI=1S/C4H8N2O/c1-7-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)/i1D,2D,3D/hD
InChIKeyZJULPBMTEMGRNC-MSWVZFBTSA-N
MW104.15 g/mol
LogP-0.41
Rot. Bonds1

About 1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole

1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole (PubChem CID 87577131) has the molecular formula C4H8N2O and a molecular weight of 104.15 g/mol. Its IUPAC name is 1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole
PubChem CID87577131
Molecular FormulaC4H8N2O
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole
SMILES[2H]COC1=NC([2H])C([2H])N1[2H]
InChIInChI=1S/C4H8N2O/c1-7-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)/i1D,2D,3D/hD
InChIKeyZJULPBMTEMGRNC-MSWVZFBTSA-N
XLogP-0.41
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole?
The IUPAC name of 1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole (CID 87577131) is 1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole.
What is the SMILES notation for 1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole?
The canonical SMILES for 1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole is [2H]COC1=NC([2H])C([2H])N1[2H].
What is the InChIKey of 1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole?
The InChIKey is ZJULPBMTEMGRNC-MSWVZFBTSA-N. The full InChI is InChI=1S/C4H8N2O/c1-7-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)/i1D,2D,3D/hD.
What are the key properties of 1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole?
1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole has a molecular weight of 104.15 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trideuterio-2-(deuteriomethoxy)-4,5-dihydroimidazole is sourced from PubChem (CID 87577131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).