1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone

C8H14N2O3 — CID 53357182

IUPAC1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
SMILES[2H]C([2H])(O)C1=CNC(C(C)=O)N1COC
InChIInChI=1S/C8H14N2O3/c1-6(12)8-9-3-7(4-11)10(8)5-13-2/h3,8-9,11H,4-5H2,1-2H3/i4D2
InChIKeyYXIWSXZGQLUEKX-APZFVMQVSA-N
MW188.22 g/mol
LogP-0.76
Rot. Bonds4

About 1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone

1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone (PubChem CID 53357182) has the molecular formula C8H14N2O3 and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
PubChem CID53357182
Molecular FormulaC8H14N2O3
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
SMILES[2H]C([2H])(O)C1=CNC(C(C)=O)N1COC
InChIInChI=1S/C8H14N2O3/c1-6(12)8-9-3-7(4-11)10(8)5-13-2/h3,8-9,11H,4-5H2,1-2H3/i4D2
InChIKeyYXIWSXZGQLUEKX-APZFVMQVSA-N
XLogP-0.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(Hydroxymethyl)-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
CID 117722395
1-[3-(Dimethylamino)-5-(hydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
CID 117722396
1-[3-(Methoxymethyl)-5-(trihydroxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
CID 163915353
1-[4-(Hydroxymethyl)-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone
CID 53358895
[3-(3-Ethoxypropyl)-1,2-dihydroimidazol-4-yl]methanol
CID 86340341

Frequently Asked Questions

What is the IUPAC name of 1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone?
The IUPAC name of 1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone (CID 53357182) is 1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone?
The canonical SMILES for 1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone is [2H]C([2H])(O)C1=CNC(C(C)=O)N1COC.
What is the InChIKey of 1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone?
The InChIKey is YXIWSXZGQLUEKX-APZFVMQVSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(12)8-9-3-7(4-11)10(8)5-13-2/h3,8-9,11H,4-5H2,1-2H3/i4D2.
What are the key properties of 1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone?
1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone has a molecular weight of 188.22 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[dideuterio(hydroxy)methyl]-3-(methoxymethyl)-1,2-dihydroimidazol-2-yl]ethanone is sourced from PubChem (CID 53357182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).