1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one

C18H20N2O2 — CID 71995735

IUPAC1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one
SMILESCOCc1ccc(C2NC(=O)CN2Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c1-22-13-15-7-9-16(10-8-15)18-19-17(21)12-20(18)11-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3,(H,19,21)
InChIKeyJMTGPXMLCOWEHZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.46
Rot. Bonds5

About 1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one

1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one (PubChem CID 71995735) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one
PubChem CID71995735
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one
SMILESCOCc1ccc(C2NC(=O)CN2Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c1-22-13-15-7-9-16(10-8-15)18-19-17(21)12-20(18)11-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3,(H,19,21)
InChIKeyJMTGPXMLCOWEHZ-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one?
The IUPAC name of 1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one (CID 71995735) is 1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one.
What is the SMILES notation for 1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one?
The canonical SMILES for 1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one is COCc1ccc(C2NC(=O)CN2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one?
The InChIKey is JMTGPXMLCOWEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-13-15-7-9-16(10-8-15)18-19-17(21)12-20(18)11-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3,(H,19,21).
What are the key properties of 1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one?
1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one has a molecular weight of 296.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[4-(methoxymethyl)phenyl]imidazolidin-4-one is sourced from PubChem (CID 71995735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).