1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one

C130H124BrN15O7 — CID 158125171

About 1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one

1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one (PubChem CID 158125171) has the molecular formula C130H124BrN15O7 and a molecular weight of 2088.42 g/mol. Its IUPAC name is 1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one
• PubChem CID: 158125171
• Molecular Formula: C130H124BrN15O7
• Molecular Weight: 2088.42 g/mol
• Exact Mass: 2085.90
• IUPAC Name: 1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one
• SMILES: Cc1cccc(Br)c1.[C-]#[N+]c1ccc(N2C(=O)N(c3ccc(C)cc3)C(C)(C)C2(O)c2cccc(C)c2)cc1.[C-]#[N+]c1ccc(N2C(=O)N(c3ccc(C)cc3)C(C)(C)C2=O)cc1.[C-]#[N+]c1ccc(N2C(=O)N(c3ccc(C)cc3)C(C)(C)C2c2cccc(C)c2)cc1.[C-]#[N+]c1ccc(N2C(=O)N(c3ccc(C)cc3)C(C)(C)[C@@H]2c2cccc(C)c2)cc1.[C-]#[N+]c1ccc(N2C(=O)N(c3ccc(C)cc3)C(C)(C)[C@H]2c2cccc(C)c2)cc1
• InChI: InChI=1S/C26H25N3O2.3C26H25N3O.C19H17N3O2.C7H7Br/c1-18-9-13-22(14-10-18)28-24(30)29(23-15-11-21(27-5)12-16-23)26(31,25(28,3)4)20-8-6-7-19(2)17-20;3*1-18-9-13-23(14-10-18)29-25(30)28(22-15-11-21(27-5)12-16-22)24(26(29,3)4)20-8-6-7-19(2)17-20;1-13-5-9-16(10-6-13)22-18(24)21(17(23)19(22,2)3)15-11-7-14(20-4)8-12-15;1-6-3-2-4-7(8)5-6/h6-17,31H,1-4H3;3*6-17,24H,1-4H3;5-12H,1-3H3;2-5H,1H3/t;2*24-;;;/m.10.../s1
• InChIKey: FSBSCKWHLXAKEM-LPUBMOSGSA-N
• XLogP: 33.44
• TPSA: 176.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2088.42
LogP ≤ 5	33.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one?

The IUPAC name of 1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one (CID 158125171) is 1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one.

What is the SMILES notation for 1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one?

The canonical SMILES for 1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one is Cc1cccc(Br)c1.[C-]#[N+]c1ccc(N2C(=O)N(c3ccc(C)cc3)C(C)(C)C2(O)c2cccc(C)c2)cc1.[C-]#[N+]c1ccc(N2C(=O)N(c3ccc(C)cc3)C(C)(C)C2=O)cc1.[C-]#[N+]c1ccc(N2C(=O)N(c3ccc(C)cc3)C(C)(C)C2c2cccc(C)c2)cc1.[C-]#[N+]c1ccc(N2C(=O)N(c3ccc(C)cc3)C(C)(C)[C@@H]2c2cccc(C)c2)cc1.[C-]#[N+]c1ccc(N2C(=O)N(c3ccc(C)cc3)C(C)(C)[C@H]2c2cccc(C)c2)cc1.

What is the InChIKey of 1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one?

The InChIKey is FSBSCKWHLXAKEM-LPUBMOSGSA-N. The full InChI is InChI=1S/C26H25N3O2.3C26H25N3O.C19H17N3O2.C7H7Br/c1-18-9-13-22(14-10-18)28-24(30)29(23-15-11-21(27-5)12-16-23)26(31,25(28,3)4)20-8-6-7-19(2)17-20;3*1-18-9-13-23(14-10-18)29-25(30)28(22-15-11-21(27-5)12-16-22)24(26(29,3)4)20-8-6-7-19(2)17-20;1-13-5-9-16(10-6-13)22-18(24)21(17(23)19(22,2)3)15-11-7-14(20-4)8-12-15;1-6-3-2-4-7(8)5-6/h6-17,31H,1-4H3;3*6-17,24H,1-4H3;5-12H,1-3H3;2-5H,1H3/t;2*24-;;;/m.10.../s1.

What are the key properties of 1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one?

1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one has a molecular weight of 2088.42 g/mol, XLogP of 33.44, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-methylbenzene;5-hydroxy-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;3-(4-isocyanophenyl)-5,5-dimethyl-1-(4-methylphenyl)imidazolidine-2,4-dione;1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5S)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one;(5R)-1-(4-isocyanophenyl)-4,4-dimethyl-5-(3-methylphenyl)-3-(4-methylphenyl)imidazolidin-2-one is sourced from PubChem (CID 158125171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).