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

C27H28Cl2N4O5 — CID 98379520

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

3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea (PubChem CID 98379520) has the molecular formula C27H28Cl2N4O5 and a molecular weight of 559.45 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
• PubChem CID: 98379520
• Molecular Formula: C27H28Cl2N4O5
• Molecular Weight: 559.45 g/mol
• Exact Mass: 558.14
• IUPAC Name: 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
• SMILES: COc1cc(CN2C(=O)N(c3cccc(Cl)c3)[C@H](N(O)C(=O)Nc3cccc(Cl)c3)C2(C)C)cc(OC)c1
• InChI: InChI=1S/C27H28Cl2N4O5/c1-27(2)24(33(36)25(34)30-20-9-5-7-18(28)13-20)32(21-10-6-8-19(29)14-21)26(35)31(27)16-17-11-22(37-3)15-23(12-17)38-4/h5-15,24,36H,16H2,1-4H3,(H,30,34)/t24-/m1/s1
• InChIKey: BHFQQRSNVKKOGL-XMMPIXPASA-N
• XLogP: 6.48
• TPSA: 94.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.45
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea?

The IUPAC name of 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea (CID 98379520) is 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea.

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

The canonical SMILES for 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea is COc1cc(CN2C(=O)N(c3cccc(Cl)c3)[C@H](N(O)C(=O)Nc3cccc(Cl)c3)C2(C)C)cc(OC)c1.

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

The InChIKey is BHFQQRSNVKKOGL-XMMPIXPASA-N. The full InChI is InChI=1S/C27H28Cl2N4O5/c1-27(2)24(33(36)25(34)30-20-9-5-7-18(28)13-20)32(21-10-6-8-19(29)14-21)26(35)31(27)16-17-11-22(37-3)15-23(12-17)38-4/h5-15,24,36H,16H2,1-4H3,(H,30,34)/t24-/m1/s1.

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

3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea has a molecular weight of 559.45 g/mol, XLogP of 6.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea is sourced from PubChem (CID 98379520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).