4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile

C24H20N4O2 — CID 118179040

IUPAC4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile
SMILESCc1cc(N2C(=O)N(c3ccc(-c4ccncc4)cc3)C(C)(C)C2=O)ccc1C#N
InChIInChI=1S/C24H20N4O2/c1-16-14-21(9-6-19(16)15-25)27-22(29)24(2,3)28(23(27)30)20-7-4-17(5-8-20)18-10-12-26-13-11-18/h4-14H,1-3H3
InChIKeyFQAWZUSUAZTCBM-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.68
Rot. Bonds3

About 4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile

4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile (PubChem CID 118179040) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile
PubChem CID118179040
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile
SMILESCc1cc(N2C(=O)N(c3ccc(-c4ccncc4)cc3)C(C)(C)C2=O)ccc1C#N
InChIInChI=1S/C24H20N4O2/c1-16-14-21(9-6-19(16)15-25)27-22(29)24(2,3)28(23(27)30)20-7-4-17(5-8-20)18-10-12-26-13-11-18/h4-14H,1-3H3
InChIKeyFQAWZUSUAZTCBM-UHFFFAOYSA-N
XLogP4.68
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.68
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 4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile?
The IUPAC name of 4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile (CID 118179040) is 4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile.
What is the SMILES notation for 4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile?
The canonical SMILES for 4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile is Cc1cc(N2C(=O)N(c3ccc(-c4ccncc4)cc3)C(C)(C)C2=O)ccc1C#N.
What is the InChIKey of 4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile?
The InChIKey is FQAWZUSUAZTCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-16-14-21(9-6-19(16)15-25)27-22(29)24(2,3)28(23(27)30)20-7-4-17(5-8-20)18-10-12-26-13-11-18/h4-14H,1-3H3.
What are the key properties of 4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile?
4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile has a molecular weight of 396.45 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4-dimethyl-2,5-dioxo-3-(4-pyridin-4-ylphenyl)imidazolidin-1-yl]-2-methylbenzonitrile is sourced from PubChem (CID 118179040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).