dideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol

C6H10N2O2 — CID 89279952

IUPACdideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol
SMILES[2H]C([2H])(O)c1cn(COC)cn1
InChIInChI=1S/C6H10N2O2/c1-10-5-8-2-6(3-9)7-4-8/h2,4,9H,3,5H2,1H3/i3D2
InChIKeyITARZZABXPZDKH-SMZGMGDZSA-N
MW144.17 g/mol
LogP-0.02
Rot. Bonds3

About dideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol

dideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol (PubChem CID 89279952) has the molecular formula C6H10N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is dideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Namedideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol
PubChem CID89279952
Molecular FormulaC6H10N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namedideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol
SMILES[2H]C([2H])(O)c1cn(COC)cn1
InChIInChI=1S/C6H10N2O2/c1-10-5-8-2-6(3-9)7-4-8/h2,4,9H,3,5H2,1H3/i3D2
InChIKeyITARZZABXPZDKH-SMZGMGDZSA-N
XLogP-0.02
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Imidazolemethanol
CID 1745
Imidazol-4-ylmethanol hydrochloride
CID 122926
(1-methyl-1H-imidazol-5-yl)methanol
CID 2773450
(2-Methyl-1H-imidazol-4-yl)methanol
CID 11480420
1-Methyl-2-nitro-1H-imidazole-5-methanol
CID 70292
1H-Imidazole-1-ethanol, 5-methyl-2-nitro-
CID 90177
Imidazole-1-ethanol, 4-methyl-2-nitro-
CID 90199
(1-(propan-2-yl)-1H-imidazol-5-yl)methanol
CID 20568531
[2-(dimethylamino)-1-methyl-1H-imidazol-5-yl]methanol
CID 64012368
3-(4-Hydroxymethyl-imidazol-1-yl)-nonan-2-ol
CID 14888756
(1,2-dimethyl-1H-imidazol-5-yl)methanol
CID 304328
1H-imidazole-5-methanol, 1-methyl-2-(methylthio)-
CID 638694

Frequently Asked Questions

What is the IUPAC name of dideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol?
The IUPAC name of dideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol (CID 89279952) is dideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol.
What is the SMILES notation for dideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol?
The canonical SMILES for dideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol is [2H]C([2H])(O)c1cn(COC)cn1.
What is the InChIKey of dideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol?
The InChIKey is ITARZZABXPZDKH-SMZGMGDZSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-10-5-8-2-6(3-9)7-4-8/h2,4,9H,3,5H2,1H3/i3D2.
What are the key properties of dideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol?
dideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol has a molecular weight of 144.17 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-[1-(methoxymethyl)imidazol-4-yl]methanol is sourced from PubChem (CID 89279952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).