3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one

C22H23N3O3 — CID 154563903

IUPAC3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCOc1cc(OCc2ccccc2)ccc1-c1nccn1C1CCN(C)C1=O
InChIInChI=1S/C22H23N3O3/c1-24-12-10-19(22(24)26)25-13-11-23-21(25)18-9-8-17(14-20(18)27-2)28-15-16-6-4-3-5-7-16/h3-9,11,13-14,19H,10,12,15H2,1-2H3
InChIKeyQJLCJVAFOHIIAE-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.54
Rot. Bonds6

About 3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one

3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one (PubChem CID 154563903) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
PubChem CID154563903
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
SMILESCOc1cc(OCc2ccccc2)ccc1-c1nccn1C1CCN(C)C1=O
InChIInChI=1S/C22H23N3O3/c1-24-12-10-19(22(24)26)25-13-11-23-21(25)18-9-8-17(14-20(18)27-2)28-15-16-6-4-3-5-7-16/h3-9,11,13-14,19H,10,12,15H2,1-2H3
InChIKeyQJLCJVAFOHIIAE-UHFFFAOYSA-N
XLogP3.54
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one (CID 154563903) is 3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one is COc1cc(OCc2ccccc2)ccc1-c1nccn1C1CCN(C)C1=O.
What is the InChIKey of 3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
The InChIKey is QJLCJVAFOHIIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-24-12-10-19(22(24)26)25-13-11-23-21(25)18-9-8-17(14-20(18)27-2)28-15-16-6-4-3-5-7-16/h3-9,11,13-14,19H,10,12,15H2,1-2H3.
What are the key properties of 3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one?
3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one has a molecular weight of 377.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 154563903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).