4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile

C19H17N3O2 — CID 2598097

IUPAC4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2C(=O)N[C@H](CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H17N3O2/c20-12-15-6-8-16(9-7-15)13-22-18(23)17(21-19(22)24)11-10-14-4-2-1-3-5-14/h1-9,17H,10-11,13H2,(H,21,24)/t17-/m1/s1
InChIKeyPCOMHMUXIAMGRL-QGZVFWFLSA-N
MW319.36 g/mol
LogP2.61
Rot. Bonds5

About 4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile

4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile (PubChem CID 2598097) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile
PubChem CID2598097
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2C(=O)N[C@H](CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H17N3O2/c20-12-15-6-8-16(9-7-15)13-22-18(23)17(21-19(22)24)11-10-14-4-2-1-3-5-14/h1-9,17H,10-11,13H2,(H,21,24)/t17-/m1/s1
InChIKeyPCOMHMUXIAMGRL-QGZVFWFLSA-N
XLogP2.61
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7917027
4-[(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)methyl]benzonitrile
CID 2398166
3-benzyl-5-prop-2-ynylimidazolidine-2,4-dione
CID 106509603
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130
4-[2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 40812409
3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide
CID 47117412
(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 95582364
3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 75865261
3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 16660602
3-chloro-4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]benzonitrile
CID 102665628
3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-hydroxypropanamide
CID 87094358
4-[(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)methyl]benzonitrile
CID 103551851

Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile (CID 2598097) is 4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile is N#Cc1ccc(CN2C(=O)N[C@H](CCc3ccccc3)C2=O)cc1.
What is the InChIKey of 4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile?
The InChIKey is PCOMHMUXIAMGRL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-12-15-6-8-16(9-7-15)13-22-18(23)17(21-19(22)24)11-10-14-4-2-1-3-5-14/h1-9,17H,10-11,13H2,(H,21,24)/t17-/m1/s1.
What are the key properties of 4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile?
4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile has a molecular weight of 319.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 2598097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).