2-(dimethylamino)-1,4-dihydroimidazol-5-one

C5H9N3O — CID 15756617

IUPAC2-(dimethylamino)-1,4-dihydroimidazol-5-one
SMILESCN(C)C1=NCC(=O)N1
InChIInChI=1S/C5H9N3O/c1-8(2)5-6-3-4(9)7-5/h3H2,1-2H3,(H,6,7,9)
InChIKeyZPXZFCWNPALTOE-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.97
Rot. Bonds

About 2-(dimethylamino)-1,4-dihydroimidazol-5-one

2-(dimethylamino)-1,4-dihydroimidazol-5-one (PubChem CID 15756617) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-(dimethylamino)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-1,4-dihydroimidazol-5-one
PubChem CID15756617
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-(dimethylamino)-1,4-dihydroimidazol-5-one
SMILESCN(C)C1=NCC(=O)N1
InChIInChI=1S/C5H9N3O/c1-8(2)5-6-3-4(9)7-5/h3H2,1-2H3,(H,6,7,9)
InChIKeyZPXZFCWNPALTOE-UHFFFAOYSA-N
XLogP-0.97
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(dimethylamino)-1,4-dihydroimidazol-5-one (CID 15756617) is 2-(dimethylamino)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(dimethylamino)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(dimethylamino)-1,4-dihydroimidazol-5-one is CN(C)C1=NCC(=O)N1.
What is the InChIKey of 2-(dimethylamino)-1,4-dihydroimidazol-5-one?
The InChIKey is ZPXZFCWNPALTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8(2)5-6-3-4(9)7-5/h3H2,1-2H3,(H,6,7,9).
What are the key properties of 2-(dimethylamino)-1,4-dihydroimidazol-5-one?
2-(dimethylamino)-1,4-dihydroimidazol-5-one has a molecular weight of 127.15 g/mol, XLogP of -0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 15756617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).