1-benzyl-4-hydroxy-3-methylimidazol-2-one

C11H12N2O2 — CID 54295474

IUPAC1-benzyl-4-hydroxy-3-methylimidazol-2-one
SMILESCn1c(O)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C11H12N2O2/c1-12-10(14)8-13(11(12)15)7-9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3
InChIKeyXVITYKVEWYMFFQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.94
Rot. Bonds2

About 1-benzyl-4-hydroxy-3-methylimidazol-2-one

1-benzyl-4-hydroxy-3-methylimidazol-2-one (PubChem CID 54295474) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-3-methylimidazol-2-one
PubChem CID54295474
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-benzyl-4-hydroxy-3-methylimidazol-2-one
SMILESCn1c(O)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C11H12N2O2/c1-12-10(14)8-13(11(12)15)7-9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3
InChIKeyXVITYKVEWYMFFQ-UHFFFAOYSA-N
XLogP0.94
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one
CID 91258588
2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid
CID 54352516
4-hydroxy-3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazol-2-one
CID 123776067
3-benzyl-4-hydroxy-1-methylimidazol-2-one
CID 54237295
3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid
CID 54493376
4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 91900328
1-benzyl-5-(hydroxymethyl)pyridin-2-one
CID 23240890
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one
CID 91042436
N-(1-benzyl-6-oxo-3-pyridinyl)acetamide
CID 167759496
1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one
CID 91480560
3,5-dibenzyl-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 57499766

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-3-methylimidazol-2-one?
The IUPAC name of 1-benzyl-4-hydroxy-3-methylimidazol-2-one (CID 54295474) is 1-benzyl-4-hydroxy-3-methylimidazol-2-one.
What is the SMILES notation for 1-benzyl-4-hydroxy-3-methylimidazol-2-one?
The canonical SMILES for 1-benzyl-4-hydroxy-3-methylimidazol-2-one is Cn1c(O)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-4-hydroxy-3-methylimidazol-2-one?
The InChIKey is XVITYKVEWYMFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-12-10(14)8-13(11(12)15)7-9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3.
What are the key properties of 1-benzyl-4-hydroxy-3-methylimidazol-2-one?
1-benzyl-4-hydroxy-3-methylimidazol-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-3-methylimidazol-2-one is sourced from PubChem (CID 54295474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).