(5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C23H21Cl2N3O3S — CID 2078366

About (5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 2078366) has the molecular formula C23H21Cl2N3O3S and a molecular weight of 490.41 g/mol. Its IUPAC name is (5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 2078366
• Molecular Formula: C23H21Cl2N3O3S
• Molecular Weight: 490.41 g/mol
• Exact Mass: 489.07
• IUPAC Name: (5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• SMILES: Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)c(C)n1Cc1cccs1
• InChI: InChI=1S/C23H21Cl2N3O3S/c1-13-9-17(14(2)27(13)11-16-5-4-8-32-16)20(29)12-28-21(30)23(3,26-22(28)31)18-7-6-15(24)10-19(18)25/h4-10H,11-12H2,1-3H3,(H,26,31)/t23-/m1/s1
• InChIKey: SYXZXEJLDPZXHR-HSZRJFAPSA-N
• XLogP: 5.17
• TPSA: 71.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.41
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 2078366) is (5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)c(C)n1Cc1cccs1.

What is the InChIKey of (5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is SYXZXEJLDPZXHR-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21Cl2N3O3S/c1-13-9-17(14(2)27(13)11-16-5-4-8-32-16)20(29)12-28-21(30)23(3,26-22(28)31)18-7-6-15(24)10-19(18)25/h4-10H,11-12H2,1-3H3,(H,26,31)/t23-/m1/s1.

What are the key properties of (5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?

(5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 490.41 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(2,4-dichlorophenyl)-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2078366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).