5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one

C17H21N3O3 — CID 166620278

IUPAC5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCOCc1cc(-c2nccn2CC2CCC(=O)N2)ccc1OC
InChIInChI=1S/C17H21N3O3/c1-22-11-13-9-12(3-5-15(13)23-2)17-18-7-8-20(17)10-14-4-6-16(21)19-14/h3,5,7-9,14H,4,6,10-11H2,1-2H3,(H,19,21)
InChIKeyMNRGLMCGBPWUBA-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.98
Rot. Bonds6

About 5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one

5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 166620278) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID166620278
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCOCc1cc(-c2nccn2CC2CCC(=O)N2)ccc1OC
InChIInChI=1S/C17H21N3O3/c1-22-11-13-9-12(3-5-15(13)23-2)17-18-7-8-20(17)10-14-4-6-16(21)19-14/h3,5,7-9,14H,4,6,10-11H2,1-2H3,(H,19,21)
InChIKeyMNRGLMCGBPWUBA-UHFFFAOYSA-N
XLogP1.98
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166614652
5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 165424592
5-[[2-(2-methoxynaphthalen-1-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166618664
methyl 3-[1-[(5-oxopyrrolidin-2-yl)methyl]imidazol-2-yl]benzoate
CID 169412849
5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166619249
5-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169413262
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175
5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166613907
5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166624170
5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169419039
5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169421141
5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169420644

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one (CID 166620278) is 5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one is COCc1cc(-c2nccn2CC2CCC(=O)N2)ccc1OC.
What is the InChIKey of 5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is MNRGLMCGBPWUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-11-13-9-12(3-5-15(13)23-2)17-18-7-8-20(17)10-14-4-6-16(21)19-14/h3,5,7-9,14H,4,6,10-11H2,1-2H3,(H,19,21).
What are the key properties of 5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 315.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 166620278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).