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

C11H12N2O2 — CID 54237295

IUPAC3-benzyl-4-hydroxy-1-methylimidazol-2-one
SMILESCn1cc(O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C11H12N2O2/c1-12-8-10(14)13(11(12)15)7-9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3
InChIKeyQNLRNJZUPJWJGU-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.94
Rot. Bonds2

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

3-benzyl-4-hydroxy-1-methylimidazol-2-one (PubChem CID 54237295) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-1-methylimidazol-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-1-methylimidazol-2-one
PubChem CID54237295
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-benzyl-4-hydroxy-1-methylimidazol-2-one
SMILESCn1cc(O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C11H12N2O2/c1-12-8-10(14)13(11(12)15)7-9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3
InChIKeyQNLRNJZUPJWJGU-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

3-[(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]benzoic acid
CID 90796127
3-benzyl-5-iodo-1-methylpyrimidine-2,4-dione
CID 79785336
(3-benzyl-4-hydroxy-2-oxoimidazol-1-yl) hydrogen carbonate
CID 91343351
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
1-benzyl-4-hydroxy-3-methylimidazol-2-one
CID 54295474
4-hydroxy-1-methyl-3-(2-oxopropyl)imidazol-2-one
CID 91096957
2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid
CID 54352516
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
CID 11509882
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773
3-dodecyl-4-hydroxy-1-methylimidazol-2-one
CID 91073512
6-acetyl-1,3-dibenzylpyrimidine-2,4-dione
CID 131848742

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-1-methylimidazol-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-1-methylimidazol-2-one (CID 54237295) is 3-benzyl-4-hydroxy-1-methylimidazol-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-1-methylimidazol-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-1-methylimidazol-2-one is Cn1cc(O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 3-benzyl-4-hydroxy-1-methylimidazol-2-one?
The InChIKey is QNLRNJZUPJWJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-12-8-10(14)13(11(12)15)7-9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3.
What are the key properties of 3-benzyl-4-hydroxy-1-methylimidazol-2-one?
3-benzyl-4-hydroxy-1-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 3-benzyl-4-hydroxy-1-methylimidazol-2-one is sourced from PubChem (CID 54237295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).