1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one

C14H18N2O2 — CID 102940740

IUPAC1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(COCc2ccccc2)c1=O
InChIInChI=1S/C14H18N2O2/c1-12(2)16-9-8-15(14(16)17)11-18-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
InChIKeyGXRKHNOAIXKWFE-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.40
Rot. Bonds5

About 1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one

1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one (PubChem CID 102940740) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one
PubChem CID102940740
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(COCc2ccccc2)c1=O
InChIInChI=1S/C14H18N2O2/c1-12(2)16-9-8-15(14(16)17)11-18-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
InChIKeyGXRKHNOAIXKWFE-UHFFFAOYSA-N
XLogP2.40
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[(2,6-dichlorophenyl)methyl]-3-propan-2-ylimidazol-2-one
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CID 80581489
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ethane;phenylmethoxymethylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one (CID 102940740) is 1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(COCc2ccccc2)c1=O.
What is the InChIKey of 1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is GXRKHNOAIXKWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-12(2)16-9-8-15(14(16)17)11-18-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one?
1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 102940740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).