(5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione

C14H17ClN2O3 — CID 26201595

IUPAC(5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@@H]1NC(=O)N(CCOc2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H17ClN2O3/c1-9(2)12-13(18)17(14(19)16-12)6-7-20-11-5-3-4-10(15)8-11/h3-5,8-9,12H,6-7H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyZQEUUSKUVUHRMF-LBPRGKRZSA-N
MW296.75 g/mol
LogP2.30
Rot. Bonds5

About (5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione

(5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 26201595) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is (5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID26201595
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name(5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@@H]1NC(=O)N(CCOc2cccc(Cl)c2)C1=O
InChIInChI=1S/C14H17ClN2O3/c1-9(2)12-13(18)17(14(19)16-12)6-7-20-11-5-3-4-10(15)8-11/h3-5,8-9,12H,6-7H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyZQEUUSKUVUHRMF-LBPRGKRZSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 26201595) is (5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione is CC(C)[C@@H]1NC(=O)N(CCOc2cccc(Cl)c2)C1=O.
What is the InChIKey of (5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is ZQEUUSKUVUHRMF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9(2)12-13(18)17(14(19)16-12)6-7-20-11-5-3-4-10(15)8-11/h3-5,8-9,12H,6-7H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione?
(5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 296.75 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(3-chlorophenoxy)ethyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 26201595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).