3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile

C19H17N3O2 — CID 102563120

IUPAC3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile
SMILESCCC(c1ccccc1)N1CC(=O)N(c2cccc(C#N)c2)C1=O
InChIInChI=1S/C19H17N3O2/c1-2-17(15-8-4-3-5-9-15)21-13-18(23)22(19(21)24)16-10-6-7-14(11-16)12-20/h3-11,17H,2,13H2,1H3
InChIKeyCTAJUQMIHMAFMO-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.48
Rot. Bonds4

About 3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile

3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile (PubChem CID 102563120) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile
PubChem CID102563120
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile
SMILESCCC(c1ccccc1)N1CC(=O)N(c2cccc(C#N)c2)C1=O
InChIInChI=1S/C19H17N3O2/c1-2-17(15-8-4-3-5-9-15)21-13-18(23)22(19(21)24)16-10-6-7-14(11-16)12-20/h3-11,17H,2,13H2,1H3
InChIKeyCTAJUQMIHMAFMO-UHFFFAOYSA-N
XLogP3.48
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile?
The IUPAC name of 3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile (CID 102563120) is 3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile.
What is the SMILES notation for 3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile?
The canonical SMILES for 3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile is CCC(c1ccccc1)N1CC(=O)N(c2cccc(C#N)c2)C1=O.
What is the InChIKey of 3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile?
The InChIKey is CTAJUQMIHMAFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-2-17(15-8-4-3-5-9-15)21-13-18(23)22(19(21)24)16-10-6-7-14(11-16)12-20/h3-11,17H,2,13H2,1H3.
What are the key properties of 3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile?
3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile has a molecular weight of 319.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile is sourced from PubChem (CID 102563120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).