1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one

C22H23FN2O2 — CID 155002831

IUPAC1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one
SMILESC=C/C(=C\C)c1ccc(N2CCN(Cc3cc(F)ccc3OC)C2=O)cc1
InChIInChI=1S/C22H23FN2O2/c1-4-16(5-2)17-6-9-20(10-7-17)25-13-12-24(22(25)26)15-18-14-19(23)8-11-21(18)27-3/h4-11,14H,1,12-13,15H2,2-3H3/b16-5+
InChIKeyPTEWLHRLOPHYNG-FZSIALSZSA-N
MW366.44 g/mol
LogP4.87
Rot. Bonds6

About 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one

1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one (PubChem CID 155002831) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one
PubChem CID155002831
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one
SMILESC=C/C(=C\C)c1ccc(N2CCN(Cc3cc(F)ccc3OC)C2=O)cc1
InChIInChI=1S/C22H23FN2O2/c1-4-16(5-2)17-6-9-20(10-7-17)25-13-12-24(22(25)26)15-18-14-19(23)8-11-21(18)27-3/h4-11,14H,1,12-13,15H2,2-3H3/b16-5+
InChIKeyPTEWLHRLOPHYNG-FZSIALSZSA-N
XLogP4.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one
CID 155002757
1-(4-methoxyphenyl)-3-[(2,4,6-trifluorophenyl)methyl]imidazolidin-2-one
CID 5023328
1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
CID 122680963
1-(4-bromo-3-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
CID 121479507
N-[4-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3,5-dimethoxybenzamide
CID 42868666
(5-fluoro-2-methoxyphenyl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952819
1-ethyl-3-(4-fluorophenyl)imidazolidin-2-one
CID 23201880
methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate
CID 155169840
1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one
CID 4266316
1-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 8704243
4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159314
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one (CID 155002831) is 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one is C=C/C(=C\C)c1ccc(N2CCN(Cc3cc(F)ccc3OC)C2=O)cc1.
What is the InChIKey of 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one?
The InChIKey is PTEWLHRLOPHYNG-FZSIALSZSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-4-16(5-2)17-6-9-20(10-7-17)25-13-12-24(22(25)26)15-18-14-19(23)8-11-21(18)27-3/h4-11,14H,1,12-13,15H2,2-3H3/b16-5+.
What are the key properties of 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one?
1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one has a molecular weight of 366.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 155002831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).