4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one

C44H26Cl6N6O3 — CID 158158567

About 4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one

4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one (PubChem CID 158158567) has the molecular formula C44H26Cl6N6O3 and a molecular weight of 899.45 g/mol. Its IUPAC name is 4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one.

Molecular Properties

• Compound Name: 4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one
• PubChem CID: 158158567
• Molecular Formula: C44H26Cl6N6O3
• Molecular Weight: 899.45 g/mol
• Exact Mass: 896.02
• IUPAC Name: 4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one
• SMILES: [C-]#[N+]c1cc(Cl)cc(-c2cn(-c3ccc(Cl)cc3)c(=O)n2-c2ccc(Cl)cc2)c1.[C-]#[N+]c1cc(Cl)cc(C2(O)CN(c3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)c1
• InChI: InChI=1S/C22H14Cl3N3O2.C22H12Cl3N3O/c1-26-18-11-14(10-17(25)12-18)22(30)13-27(19-6-2-15(23)3-7-19)21(29)28(22)20-8-4-16(24)5-9-20;1-26-18-11-14(10-17(25)12-18)21-13-27(19-6-2-15(23)3-7-19)22(29)28(21)20-8-4-16(24)5-9-20/h2-12,30H,13H2;2-13H
• InChIKey: FVZJOSBTOPBFLH-UHFFFAOYSA-N
• XLogP: 13.30
• 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	899.45
LogP ≤ 5	13.30
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 4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one?

The IUPAC name of 4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one (CID 158158567) is 4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one.

What is the SMILES notation for 4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one?

The canonical SMILES for 4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one is [C-]#[N+]c1cc(Cl)cc(-c2cn(-c3ccc(Cl)cc3)c(=O)n2-c2ccc(Cl)cc2)c1.[C-]#[N+]c1cc(Cl)cc(C2(O)CN(c3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)c1.

What is the InChIKey of 4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one?

The InChIKey is FVZJOSBTOPBFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3N3O2.C22H12Cl3N3O/c1-26-18-11-14(10-17(25)12-18)22(30)13-27(19-6-2-15(23)3-7-19)21(29)28(22)20-8-4-16(24)5-9-20;1-26-18-11-14(10-17(25)12-18)21-13-27(19-6-2-15(23)3-7-19)22(29)28(21)20-8-4-16(24)5-9-20/h2-12,30H,13H2;2-13H.

What are the key properties of 4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one?

4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one has a molecular weight of 899.45 g/mol, XLogP of 13.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)-4-hydroxyimidazolidin-2-one;4-(3-chloro-5-isocyanophenyl)-1,3-bis(4-chlorophenyl)imidazol-2-one is sourced from PubChem (CID 158158567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).