3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile

C19H14N4O2 — CID 141236514

IUPAC3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CC(=O)N(Cc3cccc(C#N)c3)C2=O)c1
InChIInChI=1S/C19H14N4O2/c20-9-14-3-1-5-16(7-14)11-22-13-18(24)23(19(22)25)12-17-6-2-4-15(8-17)10-21/h1-8H,11-13H2
InChIKeyOCRXSEWBNMUWHA-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.39
Rot. Bonds4

About 3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile

3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile (PubChem CID 141236514) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile
PubChem CID141236514
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CC(=O)N(Cc3cccc(C#N)c3)C2=O)c1
InChIInChI=1S/C19H14N4O2/c20-9-14-3-1-5-16(7-14)11-22-13-18(24)23(19(22)25)12-17-6-2-4-15(8-17)10-21/h1-8H,11-13H2
InChIKeyOCRXSEWBNMUWHA-UHFFFAOYSA-N
XLogP2.39
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The IUPAC name of 3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile (CID 141236514) is 3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile is N#Cc1cccc(CN2CC(=O)N(Cc3cccc(C#N)c3)C2=O)c1.
What is the InChIKey of 3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The InChIKey is OCRXSEWBNMUWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c20-9-14-3-1-5-16(7-14)11-22-13-18(24)23(19(22)25)12-17-6-2-4-15(8-17)10-21/h1-8H,11-13H2.
What are the key properties of 3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile?
3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile has a molecular weight of 330.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3-cyanophenyl)methyl]-2,4-dioxoimidazolidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 141236514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).