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

C21H19ClFN3O2 — CID 165424592

IUPAC5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2nccn2CC2CCC(=O)N2)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C21H19ClFN3O2/c1-28-19-6-3-14(10-16(19)13-2-5-18(23)17(22)11-13)21-24-8-9-26(21)12-15-4-7-20(27)25-15/h2-3,5-6,8-11,15H,4,7,12H2,1H3,(H,25,27)
InChIKeyWUSLKDNVDMOIIP-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.30
Rot. Bonds5

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

5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 165424592) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is 5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID165424592
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2nccn2CC2CCC(=O)N2)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C21H19ClFN3O2/c1-28-19-6-3-14(10-16(19)13-2-5-18(23)17(22)11-13)21-24-8-9-26(21)12-15-4-7-20(27)25-15/h2-3,5-6,8-11,15H,4,7,12H2,1H3,(H,25,27)
InChIKeyWUSLKDNVDMOIIP-UHFFFAOYSA-N
XLogP4.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166614652
5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166620278
5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166613907
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-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169419039
5-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169413262
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175
4-[5-[1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-2-methoxyphenyl]-1H-pyridin-2-one
CID 166620077
5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166619249
4-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]pyridine;hydrochloride
CID 139864479
5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166624170

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one (CID 165424592) is 5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one is COc1ccc(-c2nccn2CC2CCC(=O)N2)cc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is WUSLKDNVDMOIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c1-28-19-6-3-14(10-16(19)13-2-5-18(23)17(22)11-13)21-24-8-9-26(21)12-15-4-7-20(27)25-15/h2-3,5-6,8-11,15H,4,7,12H2,1H3,(H,25,27).
What are the key properties of 5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 399.85 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 165424592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).