3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea

C26H26Cl2N4O3 — CID 40879399

About 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea

3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea (PubChem CID 40879399) has the molecular formula C26H26Cl2N4O3 and a molecular weight of 513.43 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
• PubChem CID: 40879399
• Molecular Formula: C26H26Cl2N4O3
• Molecular Weight: 513.43 g/mol
• Exact Mass: 512.14
• IUPAC Name: 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
• SMILES: CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCc1ccccc1
• InChI: InChI=1S/C26H26Cl2N4O3/c1-26(2)23(32(35)24(33)29-21-12-6-10-19(27)16-21)31(22-13-7-11-20(28)17-22)25(34)30(26)15-14-18-8-4-3-5-9-18/h3-13,16-17,23,35H,14-15H2,1-2H3,(H,29,33)/t23-/m1/s1
• InChIKey: GIKHXEUTRYHSES-HSZRJFAPSA-N
• XLogP: 6.51
• TPSA: 76.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.43
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea?

The IUPAC name of 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea (CID 40879399) is 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea.

What is the SMILES notation for 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea?

The canonical SMILES for 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea is CC1(C)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCc1ccccc1.

What is the InChIKey of 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea?

The InChIKey is GIKHXEUTRYHSES-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H26Cl2N4O3/c1-26(2)23(32(35)24(33)29-21-12-6-10-19(27)16-21)31(22-13-7-11-20(28)17-22)25(34)30(26)15-14-18-8-4-3-5-9-18/h3-13,16-17,23,35H,14-15H2,1-2H3,(H,29,33)/t23-/m1/s1.

What are the key properties of 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea?

3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea has a molecular weight of 513.43 g/mol, XLogP of 6.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea is sourced from PubChem (CID 40879399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).