2,5-dideuterio-4H-imidazole

C3H4N2 — CID 157099519

IUPAC2,5-dideuterio-4H-imidazole
SMILES[2H]C1=NC([2H])=NC1
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3H,2H2/i1D,3D
InChIKeyLGRQUXHYJBFGTM-SDTNDFKLSA-N
MW70.09 g/mol
LogP0.10
Rot. Bonds

About 2,5-dideuterio-4H-imidazole

2,5-dideuterio-4H-imidazole (PubChem CID 157099519) has the molecular formula C3H4N2 and a molecular weight of 70.09 g/mol. Its IUPAC name is 2,5-dideuterio-4H-imidazole.

Molecular Properties

Compound Name2,5-dideuterio-4H-imidazole
PubChem CID157099519
Molecular FormulaC3H4N2
Molecular Weight70.09 g/mol
Exact Mass70.05
IUPAC Name2,5-dideuterio-4H-imidazole
SMILES[2H]C1=NC([2H])=NC1
InChIInChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3H,2H2/i1D,3D
InChIKeyLGRQUXHYJBFGTM-SDTNDFKLSA-N
XLogP0.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dideuterio-4H-imidazole?
The IUPAC name of 2,5-dideuterio-4H-imidazole (CID 157099519) is 2,5-dideuterio-4H-imidazole.
What is the SMILES notation for 2,5-dideuterio-4H-imidazole?
The canonical SMILES for 2,5-dideuterio-4H-imidazole is [2H]C1=NC([2H])=NC1.
What is the InChIKey of 2,5-dideuterio-4H-imidazole?
The InChIKey is LGRQUXHYJBFGTM-SDTNDFKLSA-N. The full InChI is InChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3H,2H2/i1D,3D.
What are the key properties of 2,5-dideuterio-4H-imidazole?
2,5-dideuterio-4H-imidazole has a molecular weight of 70.09 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dideuterio-4H-imidazole is sourced from PubChem (CID 157099519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).