1-benzyl-2-methylimidazolidin-4-one

C11H14N2O — CID 138110115

IUPAC1-benzyl-2-methylimidazolidin-4-one
SMILESCC1NC(=O)CN1Cc1ccccc1
InChIInChI=1S/C11H14N2O/c1-9-12-11(14)8-13(9)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,14)
InChIKeyKWGZMUPPOVXSFD-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.96
Rot. Bonds2

About 1-benzyl-2-methylimidazolidin-4-one

1-benzyl-2-methylimidazolidin-4-one (PubChem CID 138110115) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-benzyl-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name1-benzyl-2-methylimidazolidin-4-one
PubChem CID138110115
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-benzyl-2-methylimidazolidin-4-one
SMILESCC1NC(=O)CN1Cc1ccccc1
InChIInChI=1S/C11H14N2O/c1-9-12-11(14)8-13(9)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,14)
InChIKeyKWGZMUPPOVXSFD-UHFFFAOYSA-N
XLogP0.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methylimidazolidin-4-one?
The IUPAC name of 1-benzyl-2-methylimidazolidin-4-one (CID 138110115) is 1-benzyl-2-methylimidazolidin-4-one.
What is the SMILES notation for 1-benzyl-2-methylimidazolidin-4-one?
The canonical SMILES for 1-benzyl-2-methylimidazolidin-4-one is CC1NC(=O)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methylimidazolidin-4-one?
The InChIKey is KWGZMUPPOVXSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-12-11(14)8-13(9)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,14).
What are the key properties of 1-benzyl-2-methylimidazolidin-4-one?
1-benzyl-2-methylimidazolidin-4-one has a molecular weight of 190.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methylimidazolidin-4-one is sourced from PubChem (CID 138110115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).