1,4-dihydroimidazol-5-one

C6H8N4O2 — CID 67720107

IUPAC1,4-dihydroimidazol-5-one
SMILESO=C1CN=CN1.O=C1CN=CN1
InChIInChI=1S/2C3H4N2O/c2*6-3-1-4-2-5-3/h2*2H,1H2,(H,4,5,6)
InChIKeyAEUPYCGLXSSYOZ-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.71
Rot. Bonds

About 1,4-dihydroimidazol-5-one

1,4-dihydroimidazol-5-one (PubChem CID 67720107) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name1,4-dihydroimidazol-5-one
PubChem CID67720107
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name1,4-dihydroimidazol-5-one
SMILESO=C1CN=CN1.O=C1CN=CN1
InChIInChI=1S/2C3H4N2O/c2*6-3-1-4-2-5-3/h2*2H,1H2,(H,4,5,6)
InChIKeyAEUPYCGLXSSYOZ-UHFFFAOYSA-N
XLogP-1.71
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroimidazol-5-one?
The IUPAC name of 1,4-dihydroimidazol-5-one (CID 67720107) is 1,4-dihydroimidazol-5-one.
What is the SMILES notation for 1,4-dihydroimidazol-5-one?
The canonical SMILES for 1,4-dihydroimidazol-5-one is O=C1CN=CN1.O=C1CN=CN1.
What is the InChIKey of 1,4-dihydroimidazol-5-one?
The InChIKey is AEUPYCGLXSSYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4N2O/c2*6-3-1-4-2-5-3/h2*2H,1H2,(H,4,5,6).
What are the key properties of 1,4-dihydroimidazol-5-one?
1,4-dihydroimidazol-5-one has a molecular weight of 168.16 g/mol, XLogP of -1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroimidazol-5-one is sourced from PubChem (CID 67720107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).