3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile

C18H17N5O3 — CID 129216901

IUPAC3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile
SMILESCCc1c(C#N)cccc1Oc1ncc(N2C(=O)NC(C)(C)C2=O)cn1
InChIInChI=1S/C18H17N5O3/c1-4-13-11(8-19)6-5-7-14(13)26-16-20-9-12(10-21-16)23-15(24)18(2,3)22-17(23)25/h5-7,9-10H,4H2,1-3H3,(H,22,25)
InChIKeyFRXPHMJTHGNPLX-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.54
Rot. Bonds4

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

3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile (PubChem CID 129216901) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile.

Molecular Properties

Compound Name3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile
PubChem CID129216901
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile
SMILESCCc1c(C#N)cccc1Oc1ncc(N2C(=O)NC(C)(C)C2=O)cn1
InChIInChI=1S/C18H17N5O3/c1-4-13-11(8-19)6-5-7-14(13)26-16-20-9-12(10-21-16)23-15(24)18(2,3)22-17(23)25/h5-7,9-10H,4H2,1-3H3,(H,22,25)
InChIKeyFRXPHMJTHGNPLX-UHFFFAOYSA-N
XLogP2.54
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile?
The IUPAC name of 3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile (CID 129216901) is 3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile.
What is the SMILES notation for 3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile?
The canonical SMILES for 3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile is CCc1c(C#N)cccc1Oc1ncc(N2C(=O)NC(C)(C)C2=O)cn1.
What is the InChIKey of 3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile?
The InChIKey is FRXPHMJTHGNPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-4-13-11(8-19)6-5-7-14(13)26-16-20-9-12(10-21-16)23-15(24)18(2,3)22-17(23)25/h5-7,9-10H,4H2,1-3H3,(H,22,25).
What are the key properties of 3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile?
3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile has a molecular weight of 351.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pyrimidin-2-yl]oxy-2-ethylbenzonitrile is sourced from PubChem (CID 129216901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).