4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile

C19H17N3O3 — CID 40812409

IUPAC4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H17N3O3/c20-13-15-6-8-16(9-7-15)25-11-10-22-18(23)17(21-19(22)24)12-14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,21,24)/t17-/m1/s1
InChIKeyRVDSBEPBGDXILJ-QGZVFWFLSA-N
MW335.36 g/mol
LogP2.10
Rot. Bonds6

About 4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile

4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile (PubChem CID 40812409) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
PubChem CID40812409
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H17N3O3/c20-13-15-6-8-16(9-7-15)25-11-10-22-18(23)17(21-19(22)24)12-14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,21,24)/t17-/m1/s1
InChIKeyRVDSBEPBGDXILJ-QGZVFWFLSA-N
XLogP2.10
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-[(2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl)oxymethyl]benzonitrile
CID 137492025
(5R)-5-benzyl-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 11674231
(5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 2704119
4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile
CID 2598097
4-[4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]benzonitrile
CID 7670851
(5R)-3-[2-(4-fluorophenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 2100381
5-benzyl-3-[2-hydroxy-3-(4-methoxyphenoxy)propyl]imidazolidine-2,4-dione
CID 17489169
5-[[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methoxybenzonitrile
CID 99697015
5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione
CID 19752551
4-[4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]phenyl]benzonitrile
CID 100919085
(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
CID 155535405
4-[3-(1,3-dioxoisoindol-2-yl)propoxy]benzonitrile
CID 18960990

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile (CID 40812409) is 4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile is N#Cc1ccc(OCCN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile?
The InChIKey is RVDSBEPBGDXILJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17N3O3/c20-13-15-6-8-16(9-7-15)25-11-10-22-18(23)17(21-19(22)24)12-14-4-2-1-3-5-14/h1-9,17H,10-12H2,(H,21,24)/t17-/m1/s1.
What are the key properties of 4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile?
4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile has a molecular weight of 335.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile is sourced from PubChem (CID 40812409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).