(5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione

C17H17N3O3 — CID 53241718

IUPAC(5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1ccccc1Oc1ccc(N2C(=O)N[C@H](C)C2=O)cn1
InChIInChI=1S/C17H17N3O3/c1-3-12-6-4-5-7-14(12)23-15-9-8-13(10-18-15)20-16(21)11(2)19-17(20)22/h4-11H,3H2,1-2H3,(H,19,22)/t11-/m1/s1
InChIKeyNCKSBRYDEQEYRF-LLVKDONJSA-N
MW311.34 g/mol
LogP2.88
Rot. Bonds4

About (5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione

(5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione (PubChem CID 53241718) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione
PubChem CID53241718
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1ccccc1Oc1ccc(N2C(=O)N[C@H](C)C2=O)cn1
InChIInChI=1S/C17H17N3O3/c1-3-12-6-4-5-7-14(12)23-15-9-8-13(10-18-15)20-16(21)11(2)19-17(20)22/h4-11H,3H2,1-2H3,(H,19,22)/t11-/m1/s1
InChIKeyNCKSBRYDEQEYRF-LLVKDONJSA-N
XLogP2.88
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.88
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 (5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione (CID 53241718) is (5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione is CCc1ccccc1Oc1ccc(N2C(=O)N[C@H](C)C2=O)cn1.
What is the InChIKey of (5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is NCKSBRYDEQEYRF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-12-6-4-5-7-14(12)23-15-9-8-13(10-18-15)20-16(21)11(2)19-17(20)22/h4-11H,3H2,1-2H3,(H,19,22)/t11-/m1/s1.
What are the key properties of (5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione?
(5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 311.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[6-(2-ethylphenoxy)-3-pyridinyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 53241718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).