1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one

C46H32Cl4N6O3 — CID 159323012

About 1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one

1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one (PubChem CID 159323012) has the molecular formula C46H32Cl4N6O3 and a molecular weight of 858.61 g/mol. Its IUPAC name is 1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one.

Molecular Properties

• Compound Name: 1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one
• PubChem CID: 159323012
• Molecular Formula: C46H32Cl4N6O3
• Molecular Weight: 858.61 g/mol
• Exact Mass: 856.13
• IUPAC Name: 1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one
• SMILES: [C-]#[N+]c1cccc(-c2c(C)n(-c3ccc(Cl)cc3)c(=O)n2-c2ccc(Cl)cc2)c1.[C-]#[N+]c1cccc(C2(O)C(C)N(c3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)c1
• InChI: InChI=1S/C23H17Cl2N3O2.C23H15Cl2N3O/c1-15-23(30,16-4-3-5-19(14-16)26-2)28(21-12-8-18(25)9-13-21)22(29)27(15)20-10-6-17(24)7-11-20;1-15-22(16-4-3-5-19(14-16)26-2)28(21-12-8-18(25)9-13-21)23(29)27(15)20-10-6-17(24)7-11-20/h3-15,30H,1H3;3-14H,1H3
• InChIKey: LDZRSPQVIVIDFU-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 79.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.61
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one?

The IUPAC name of 1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one (CID 159323012) is 1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one.

What is the SMILES notation for 1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one?

The canonical SMILES for 1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one is [C-]#[N+]c1cccc(-c2c(C)n(-c3ccc(Cl)cc3)c(=O)n2-c2ccc(Cl)cc2)c1.[C-]#[N+]c1cccc(C2(O)C(C)N(c3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)c1.

What is the InChIKey of 1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one?

The InChIKey is LDZRSPQVIVIDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2.C23H15Cl2N3O/c1-15-23(30,16-4-3-5-19(14-16)26-2)28(21-12-8-18(25)9-13-21)22(29)27(15)20-10-6-17(24)7-11-20;1-15-22(16-4-3-5-19(14-16)26-2)28(21-12-8-18(25)9-13-21)23(29)27(15)20-10-6-17(24)7-11-20/h3-15,30H,1H3;3-14H,1H3.

What are the key properties of 1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one?

1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one has a molecular weight of 858.61 g/mol, XLogP of 12.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one is sourced from PubChem (CID 159323012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).