(5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione

C12H12Cl2N2O3S — CID 51726005

IUPAC(5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@H]1NC(=O)N(CC(=O)c2cc(Cl)sc2Cl)C1=O
InChIInChI=1S/C12H12Cl2N2O3S/c1-5(2)9-11(18)16(12(19)15-9)4-7(17)6-3-8(13)20-10(6)14/h3,5,9H,4H2,1-2H3,(H,15,19)/t9-/m1/s1
InChIKeyZKBCLZLOBNUTTI-SECBINFHSA-N
MW335.21 g/mol
LogP2.81
Rot. Bonds4

About (5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione

(5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 51726005) has the molecular formula C12H12Cl2N2O3S and a molecular weight of 335.21 g/mol. Its IUPAC name is (5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID51726005
Molecular FormulaC12H12Cl2N2O3S
Molecular Weight335.21 g/mol
Exact Mass333.99
IUPAC Name(5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)[C@H]1NC(=O)N(CC(=O)c2cc(Cl)sc2Cl)C1=O
InChIInChI=1S/C12H12Cl2N2O3S/c1-5(2)9-11(18)16(12(19)15-9)4-7(17)6-3-8(13)20-10(6)14/h3,5,9H,4H2,1-2H3,(H,15,19)/t9-/m1/s1
InChIKeyZKBCLZLOBNUTTI-SECBINFHSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.81
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-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 51726005) is (5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione is CC(C)[C@H]1NC(=O)N(CC(=O)c2cc(Cl)sc2Cl)C1=O.
What is the InChIKey of (5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is ZKBCLZLOBNUTTI-SECBINFHSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3S/c1-5(2)9-11(18)16(12(19)15-9)4-7(17)6-3-8(13)20-10(6)14/h3,5,9H,4H2,1-2H3,(H,15,19)/t9-/m1/s1.
What are the key properties of (5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione?
(5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 335.21 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 51726005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).