1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one

C13H16N2O3 — CID 80583236

IUPAC1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
SMILESCOc1ccc(CO)cc1Cn1ccn(C)c1=O
InChIInChI=1S/C13H16N2O3/c1-14-5-6-15(13(14)17)8-11-7-10(9-16)3-4-12(11)18-2/h3-7,16H,8-9H2,1-2H3
InChIKeyQUNQZTZDGDGLBP-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.74
Rot. Bonds4

About 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one

1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one (PubChem CID 80583236) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
PubChem CID80583236
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
SMILESCOc1ccc(CO)cc1Cn1ccn(C)c1=O
InChIInChI=1S/C13H16N2O3/c1-14-5-6-15(13(14)17)8-11-7-10(9-16)3-4-12(11)18-2/h3-7,16H,8-9H2,1-2H3
InChIKeyQUNQZTZDGDGLBP-UHFFFAOYSA-N
XLogP0.74
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methoxy-5-[(3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]boronic acid
CID 80582060
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one
CID 80581760
[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 62018219
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 19603658
1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
CID 80579494
1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80580041
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
CID 62018410
1-[[3-(3-aminoprop-1-ynyl)-4-methoxyphenyl]methyl]-3-methylimidazol-2-one
CID 80582104
3-[1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 22123301
1-ethyl-3-[[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]methyl]imidazol-2-one
CID 80580206
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 62019696
4-tert-butyl-1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
CID 104512631

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one (CID 80583236) is 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one is COc1ccc(CO)cc1Cn1ccn(C)c1=O.
What is the InChIKey of 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one?
The InChIKey is QUNQZTZDGDGLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-14-5-6-15(13(14)17)8-11-7-10(9-16)3-4-12(11)18-2/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one?
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one has a molecular weight of 248.28 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80583236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).