2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile

C16H13N3O3 — CID 17395489

IUPAC2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
SMILESCC1(c2ccco2)NC(=O)N(Cc2ccccc2C#N)C1=O
InChIInChI=1S/C16H13N3O3/c1-16(13-7-4-8-22-13)14(20)19(15(21)18-16)10-12-6-3-2-5-11(12)9-17/h2-8H,10H2,1H3,(H,18,21)
InChIKeySEOIHJSSOKZTBN-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.12
Rot. Bonds3

About 2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile

2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile (PubChem CID 17395489) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
PubChem CID17395489
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
SMILESCC1(c2ccco2)NC(=O)N(Cc2ccccc2C#N)C1=O
InChIInChI=1S/C16H13N3O3/c1-16(13-7-4-8-22-13)14(20)19(15(21)18-16)10-12-6-3-2-5-11(12)9-17/h2-8H,10H2,1H3,(H,18,21)
InChIKeySEOIHJSSOKZTBN-UHFFFAOYSA-N
XLogP2.12
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
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 2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile (CID 17395489) is 2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile is CC1(c2ccco2)NC(=O)N(Cc2ccccc2C#N)C1=O.
What is the InChIKey of 2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
The InChIKey is SEOIHJSSOKZTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-16(13-7-4-8-22-13)14(20)19(15(21)18-16)10-12-6-3-2-5-11(12)9-17/h2-8H,10H2,1H3,(H,18,21).
What are the key properties of 2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile?
2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile has a molecular weight of 295.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 17395489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).