4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile

C24H28N4O2 — CID 22390814

IUPAC4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCN(CCN3CCC(COc4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C24H28N4O2/c25-18-20-6-8-22(9-7-20)28-17-16-27(24(28)29)15-14-26-12-10-21(11-13-26)19-30-23-4-2-1-3-5-23/h1-9,21H,10-17,19H2
InChIKeySVSVYWBSNWCGMY-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.59
Rot. Bonds7

About 4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile

4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile (PubChem CID 22390814) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile
PubChem CID22390814
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCN(CCN3CCC(COc4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C24H28N4O2/c25-18-20-6-8-22(9-7-20)28-17-16-27(24(28)29)15-14-26-12-10-21(11-13-26)19-30-23-4-2-1-3-5-23/h1-9,21H,10-17,19H2
InChIKeySVSVYWBSNWCGMY-UHFFFAOYSA-N
XLogP3.59
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile?
The IUPAC name of 4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile (CID 22390814) is 4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile.
What is the SMILES notation for 4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile?
The canonical SMILES for 4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile is N#Cc1ccc(N2CCN(CCN3CCC(COc4ccccc4)CC3)C2=O)cc1.
What is the InChIKey of 4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile?
The InChIKey is SVSVYWBSNWCGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c25-18-20-6-8-22(9-7-20)28-17-16-27(24(28)29)15-14-26-12-10-21(11-13-26)19-30-23-4-2-1-3-5-23/h1-9,21H,10-17,19H2.
What are the key properties of 4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile?
4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile has a molecular weight of 404.51 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-3-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]imidazolidin-1-yl]benzonitrile is sourced from PubChem (CID 22390814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).