2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one

C5H9N3O2 — CID 83136823

IUPAC2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one
SMILESCOCC1N=C(N)NC1=O
InChIInChI=1S/C5H9N3O2/c1-10-2-3-4(9)8-5(6)7-3/h3H,2H2,1H3,(H3,6,7,8,9)
InChIKeyOIMOQTAXWBEIJK-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.55
Rot. Bonds2

About 2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one

2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one (PubChem CID 83136823) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one
PubChem CID83136823
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one
SMILESCOCC1N=C(N)NC1=O
InChIInChI=1S/C5H9N3O2/c1-10-2-3-4(9)8-5(6)7-3/h3H,2H2,1H3,(H3,6,7,8,9)
InChIKeyOIMOQTAXWBEIJK-UHFFFAOYSA-N
XLogP-1.55
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one (CID 83136823) is 2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one is COCC1N=C(N)NC1=O.
What is the InChIKey of 2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is OIMOQTAXWBEIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-10-2-3-4(9)8-5(6)7-3/h3H,2H2,1H3,(H3,6,7,8,9).
What are the key properties of 2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one?
2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 143.15 g/mol, XLogP of -1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 83136823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).