2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile

C18H16N4O3 — CID 129216936

IUPAC2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1Oc1ccc(N2C(=O)NC(C)(C)C2=O)cn1
InChIInChI=1S/C18H16N4O3/c1-11-5-4-6-12(9-19)15(11)25-14-8-7-13(10-20-14)22-16(23)18(2,3)21-17(22)24/h4-8,10H,1-3H3,(H,21,24)
InChIKeyQMGVTQHMDSHRNN-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.89
Rot. Bonds3

About 2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile

2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile (PubChem CID 129216936) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile.

Molecular Properties

Compound Name2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile
PubChem CID129216936
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1Oc1ccc(N2C(=O)NC(C)(C)C2=O)cn1
InChIInChI=1S/C18H16N4O3/c1-11-5-4-6-12(9-19)15(11)25-14-8-7-13(10-20-14)22-16(23)18(2,3)21-17(22)24/h4-8,10H,1-3H3,(H,21,24)
InChIKeyQMGVTQHMDSHRNN-UHFFFAOYSA-N
XLogP2.89
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 53241836
3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile
CID 129216901
3-[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 57410331
3-[6-[(3-ethyl-3-methyl-1H-2-benzofuran-4-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 123406731
5,5-dimethyl-3-[6-[(4-methyl-3,4-dihydro-2H-chromen-5-yl)oxy]-3-pyridinyl]imidazolidine-2,4-dione
CID 158408774
3-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 118945967
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-fluorobenzonitrile
CID 162676558
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CID 11162285
4-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenoxy]-2-methoxybenzonitrile
CID 53241215
2-(2,6-dimethylphenoxy)-5-nitropyridine
CID 12675956
3-cyclopropyl-4-[[5-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyridinyl]oxy]benzonitrile
CID 53241113
5,5-dimethyl-3-[6-(2-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione
CID 146289860

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile?
The IUPAC name of 2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile (CID 129216936) is 2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile.
What is the SMILES notation for 2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile?
The canonical SMILES for 2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile is Cc1cccc(C#N)c1Oc1ccc(N2C(=O)NC(C)(C)C2=O)cn1.
What is the InChIKey of 2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile?
The InChIKey is QMGVTQHMDSHRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11-5-4-6-12(9-19)15(11)25-14-8-7-13(10-20-14)22-16(23)18(2,3)21-17(22)24/h4-8,10H,1-3H3,(H,21,24).
What are the key properties of 2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile?
2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile has a molecular weight of 336.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-pyridinyl]oxy]-3-methylbenzonitrile is sourced from PubChem (CID 129216936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).