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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Related Compounds

6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 67834275
1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one
CID 146040356
2-methoxy-1-methyl-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizin-4-one
CID 122641879
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
CID 123516675
CID 123516675
3-[2-(2-methoxy-4-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid
CID 126618725
5-(2-methoxy-4-phenylmethoxyphenyl)-2-phenyl-1H-imidazole;hydrochloride
CID 158418618
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
1-methyl-5-phenylmethoxy-2H-indol-3-one
CID 155591084
1-(5-chloro-2-nitrophenyl)-2-methoxy-4-phenylmethoxybenzene
CID 24750091
(13aS)-6,7-dimethoxy-3-phenylmethoxy-9,12,13,13a-tetrahydrophenanthro[9,10-f]indolizine-11,14-dione
CID 51050303
2-[2-methoxy-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-3-methylquinazolin-4-one
CID 11524620

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).