4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile

C26H23N3O2 — CID 135003401

IUPAC4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile
SMILESC=C(c1ccc(C#N)cc1)C1CN(Cc2ccc(OC)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C26H23N3O2/c1-19(22-12-8-20(16-27)9-13-22)25-18-28(17-21-10-14-24(31-2)15-11-21)26(30)29(25)23-6-4-3-5-7-23/h3-15,25H,1,17-18H2,2H3
InChIKeyOKTYNGFKZFNCIW-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.09
Rot. Bonds6

About 4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile

4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile (PubChem CID 135003401) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile
PubChem CID135003401
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile
SMILESC=C(c1ccc(C#N)cc1)C1CN(Cc2ccc(OC)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C26H23N3O2/c1-19(22-12-8-20(16-27)9-13-22)25-18-28(17-21-10-14-24(31-2)15-11-21)26(30)29(25)23-6-4-3-5-7-23/h3-15,25H,1,17-18H2,2H3
InChIKeyOKTYNGFKZFNCIW-UHFFFAOYSA-N
XLogP5.09
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile?
The IUPAC name of 4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile (CID 135003401) is 4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile?
The canonical SMILES for 4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile is C=C(c1ccc(C#N)cc1)C1CN(Cc2ccc(OC)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of 4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile?
The InChIKey is OKTYNGFKZFNCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-19(22-12-8-20(16-27)9-13-22)25-18-28(17-21-10-14-24(31-2)15-11-21)26(30)29(25)23-6-4-3-5-7-23/h3-15,25H,1,17-18H2,2H3.
What are the key properties of 4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile?
4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile has a molecular weight of 409.49 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylimidazolidin-4-yl]ethenyl]benzonitrile is sourced from PubChem (CID 135003401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).