5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one

C15H16FN3O2 — CID 166614652

IUPAC5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2nccn2CC2CCC(=O)N2)cc1F
InChIInChI=1S/C15H16FN3O2/c1-21-13-4-2-10(8-12(13)16)15-17-6-7-19(15)9-11-3-5-14(20)18-11/h2,4,6-8,11H,3,5,9H2,1H3,(H,18,20)
InChIKeyUDSNHTWFAFRTPI-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.98
Rot. Bonds4

About 5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one

5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 166614652) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID166614652
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2nccn2CC2CCC(=O)N2)cc1F
InChIInChI=1S/C15H16FN3O2/c1-21-13-4-2-10(8-12(13)16)15-17-6-7-19(15)9-11-3-5-14(20)18-11/h2,4,6-8,11H,3,5,9H2,1H3,(H,18,20)
InChIKeyUDSNHTWFAFRTPI-UHFFFAOYSA-N
XLogP1.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 165424592
5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166620278
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-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166613907
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-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166619249
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-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one (CID 166614652) is 5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one is COc1ccc(-c2nccn2CC2CCC(=O)N2)cc1F.
What is the InChIKey of 5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is UDSNHTWFAFRTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-13-4-2-10(8-12(13)16)15-17-6-7-19(15)9-11-3-5-14(20)18-11/h2,4,6-8,11H,3,5,9H2,1H3,(H,18,20).
What are the key properties of 5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one?
5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 289.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 166614652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).