(5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione

C12H13ClN2O2 — CID 93037488

IUPAC(5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H13ClN2O2/c1-7(2)10-11(16)15(12(17)14-10)9-5-3-8(13)4-6-9/h3-7,10H,1-2H3,(H,14,17)/t10-/m0/s1
InChIKeyZPCSDSHWRCSVGL-JTQLQIEISA-N
MW252.70 g/mol
LogP2.42
Rot. Bonds2

About (5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione

(5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 93037488) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is (5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID93037488
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name(5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H13ClN2O2/c1-7(2)10-11(16)15(12(17)14-10)9-5-3-8(13)4-6-9/h3-7,10H,1-2H3,(H,14,17)/t10-/m0/s1
InChIKeyZPCSDSHWRCSVGL-JTQLQIEISA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione (CID 93037488) is (5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione is CC(C)[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is ZPCSDSHWRCSVGL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-7(2)10-11(16)15(12(17)14-10)9-5-3-8(13)4-6-9/h3-7,10H,1-2H3,(H,14,17)/t10-/m0/s1.
What are the key properties of (5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione?
(5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 252.70 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-chlorophenyl)-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 93037488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).