1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone

C8H14N2O5 — CID 163915353

IUPAC1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
SMILESCOCN1C=C(C(O)(O)O)NC1C(C)=O
InChIInChI=1S/C8H14N2O5/c1-5(11)7-9-6(8(12,13)14)3-10(7)4-15-2/h3,7,9,12-14H,4H2,1-2H3
InChIKeyQVTUYKPJCOYXFB-UHFFFAOYSA-N
MW218.21 g/mol
LogP-2.12
Rot. Bonds4

About 1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone

1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone (PubChem CID 163915353) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
PubChem CID163915353
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
SMILESCOCN1C=C(C(O)(O)O)NC1C(C)=O
InChIInChI=1S/C8H14N2O5/c1-5(11)7-9-6(8(12,13)14)3-10(7)4-15-2/h3,7,9,12-14H,4H2,1-2H3
InChIKeyQVTUYKPJCOYXFB-UHFFFAOYSA-N
XLogP-2.12
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-(Hydroxymethyl)-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
CID 117722395
1-[4-[Dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
CID 53357182
1-[4-(Hydroxymethyl)-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
CID 53358895

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone?
The IUPAC name of 1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone (CID 163915353) is 1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone is COCN1C=C(C(O)(O)O)NC1C(C)=O.
What is the InChIKey of 1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone?
The InChIKey is QVTUYKPJCOYXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-5(11)7-9-6(8(12,13)14)3-10(7)4-15-2/h3,7,9,12-14H,4H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone?
1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone has a molecular weight of 218.21 g/mol, XLogP of -2.12, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone is sourced from PubChem (CID 163915353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).