1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea

C22H26Cl2N4O3 — CID 26442979

About 1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea

1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea (PubChem CID 26442979) has the molecular formula C22H26Cl2N4O3 and a molecular weight of 465.38 g/mol. Its IUPAC name is 1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea.

Molecular Properties

• Compound Name: 1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea
• PubChem CID: 26442979
• Molecular Formula: C22H26Cl2N4O3
• Molecular Weight: 465.38 g/mol
• Exact Mass: 464.14
• IUPAC Name: 1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea
• SMILES: CCCCN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C
• InChI: InChI=1S/C22H26Cl2N4O3/c1-4-5-12-26-21(30)27(18-11-7-9-16(24)14-18)19(22(26,2)3)28(31)20(29)25-17-10-6-8-15(23)13-17/h6-11,13-14,19,31H,4-5,12H2,1-3H3,(H,25,29)/t19-/m1/s1
• InChIKey: FUAGUIQTWSKTLA-LJQANCHMSA-N
• XLogP: 6.06
• TPSA: 76.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.38
LogP ≤ 5	6.06
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 1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea?

The IUPAC name of 1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea (CID 26442979) is 1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea.

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

The canonical SMILES for 1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea is CCCCN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C.

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

The InChIKey is FUAGUIQTWSKTLA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26Cl2N4O3/c1-4-5-12-26-21(30)27(18-11-7-9-16(24)14-18)19(22(26,2)3)28(31)20(29)25-17-10-6-8-15(23)13-17/h6-11,13-14,19,31H,4-5,12H2,1-3H3,(H,25,29)/t19-/m1/s1.

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

1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea has a molecular weight of 465.38 g/mol, XLogP of 6.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea is sourced from PubChem (CID 26442979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).