1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one

C21H21N3O2 — CID 70926091

IUPAC1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C21H21N3O2/c25-21-6-3-12-24(21)17-9-7-16(8-10-17)11-13-26-20-5-2-1-4-18(20)19-14-22-15-23-19/h1-2,4-5,7-10,14-15H,3,6,11-13H2,(H,22,23)
InChIKeyZDQUCNGUCCIIEN-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.83
Rot. Bonds6

About 1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one

1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 70926091) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one
PubChem CID70926091
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C21H21N3O2/c25-21-6-3-12-24(21)17-9-7-16(8-10-17)11-13-26-20-5-2-1-4-18(20)19-14-22-15-23-19/h1-2,4-5,7-10,14-15H,3,6,11-13H2,(H,22,23)
InChIKeyZDQUCNGUCCIIEN-UHFFFAOYSA-N
XLogP3.83
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-phenylpropane-2-thione
CID 159392368
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26960398
1-[2-(2-chlorophenoxy)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100750010
2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 27171286
4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43351519
3-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 8589520
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 27554751
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 110893074
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111339037
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 51114000

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one (CID 70926091) is 1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1.
What is the InChIKey of 1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is ZDQUCNGUCCIIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21-6-3-12-24(21)17-9-7-16(8-10-17)11-13-26-20-5-2-1-4-18(20)19-14-22-15-23-19/h1-2,4-5,7-10,14-15H,3,6,11-13H2,(H,22,23).
What are the key properties of 1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one?
1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 347.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 70926091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).