1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone

C71H64Br7N9O11 — CID 161119067

IUPAC1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone
SMILESCOc1ccc(Br)cn1.COc1ccc(C(=O)CBr)cn1.COc1ccc(C(=O)CCc2ccc(Br)cc2)cn1.COc1ccc(C(C)=O)cn1.COc1ccc(C2(O)CN(c3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cn1.Nc1ccc(Br)cc1.O=C=Nc1ccc(Br)cc1
InChIInChI=1S/C21H17Br2N3O3.C15H14BrNO2.C8H8BrNO2.C8H9NO2.C7H4BrNO.C6H6BrNO.C6H6BrN/c1-29-19-11-2-14(12-24-19)21(28)13-25(17-7-3-15(22)4-8-17)20(27)26(21)18-9-5-16(23)6-10-18;1-19-15-9-5-12(10-17-15)14(18)8-4-11-2-6-13(16)7-3-11;1-12-8-3-2-6(5-10-8)7(11)4-9;1-6(10)7-3-4-8(11-2)9-5-7;8-6-1-3-7(4-2-6)9-5-10;1-9-6-3-2-5(7)4-8-6;7-5-1-3-6(8)4-2-5/h2-12,28H,13H2,1H3;2-3,5-7,9-10H,4,8H2,1H3;2-3,5H,4H2,1H3;3-5H,1-2H3;1-4H;2-4H,1H3;1-4H,8H2
InChIKeyUKSAAWXDZXQYKS-UHFFFAOYSA-N
MW1778.67 g/mol
LogP17.84
Rot. Bonds16

About 1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone

1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone (PubChem CID 161119067) has the molecular formula C71H64Br7N9O11 and a molecular weight of 1778.67 g/mol. Its IUPAC name is 1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone
PubChem CID161119067
Molecular FormulaC71H64Br7N9O11
Molecular Weight1778.67 g/mol
Exact Mass1770.90
IUPAC Name1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone
SMILESCOc1ccc(Br)cn1.COc1ccc(C(=O)CBr)cn1.COc1ccc(C(=O)CCc2ccc(Br)cc2)cn1.COc1ccc(C(C)=O)cn1.COc1ccc(C2(O)CN(c3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cn1.Nc1ccc(Br)cc1.O=C=Nc1ccc(Br)cc1
InChIInChI=1S/C21H17Br2N3O3.C15H14BrNO2.C8H8BrNO2.C8H9NO2.C7H4BrNO.C6H6BrNO.C6H6BrN/c1-29-19-11-2-14(12-24-19)21(28)13-25(17-7-3-15(22)4-8-17)20(27)26(21)18-9-5-16(23)6-10-18;1-19-15-9-5-12(10-17-15)14(18)8-4-11-2-6-13(16)7-3-11;1-12-8-3-2-6(5-10-8)7(11)4-9;1-6(10)7-3-4-8(11-2)9-5-7;8-6-1-3-7(4-2-6)9-5-10;1-9-6-3-2-5(7)4-8-6;7-5-1-3-6(8)4-2-5/h2-12,28H,13H2,1H3;2-3,5-7,9-10H,4,8H2,1H3;2-3,5H,4H2,1H3;3-5H,1-2H3;1-4H;2-4H,1H3;1-4H,8H2
InChIKeyUKSAAWXDZXQYKS-UHFFFAOYSA-N
XLogP17.84
TPSA261.04 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001778.67
LogP ≤ 517.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone with MolForge

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Related Compounds

1,3-Bis(4-bromophenyl)-4-hydroxy-4-pyridin-3-ylimidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;3-(4-bromophenyl)-1-pyridin-3-ylpropan-1-one;2-bromo-1-pyridin-3-ylethanone;hydrobromide
CID 159588272

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone?
The IUPAC name of 1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone (CID 161119067) is 1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for 1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone is COc1ccc(Br)cn1.COc1ccc(C(=O)CBr)cn1.COc1ccc(C(=O)CCc2ccc(Br)cc2)cn1.COc1ccc(C(C)=O)cn1.COc1ccc(C2(O)CN(c3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cn1.Nc1ccc(Br)cc1.O=C=Nc1ccc(Br)cc1.
What is the InChIKey of 1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone?
The InChIKey is UKSAAWXDZXQYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Br2N3O3.C15H14BrNO2.C8H8BrNO2.C8H9NO2.C7H4BrNO.C6H6BrNO.C6H6BrN/c1-29-19-11-2-14(12-24-19)21(28)13-25(17-7-3-15(22)4-8-17)20(27)26(21)18-9-5-16(23)6-10-18;1-19-15-9-5-12(10-17-15)14(18)8-4-11-2-6-13(16)7-3-11;1-12-8-3-2-6(5-10-8)7(11)4-9;1-6(10)7-3-4-8(11-2)9-5-7;8-6-1-3-7(4-2-6)9-5-10;1-9-6-3-2-5(7)4-8-6;7-5-1-3-6(8)4-2-5/h2-12,28H,13H2,1H3;2-3,5-7,9-10H,4,8H2,1H3;2-3,5H,4H2,1H3;3-5H,1-2H3;1-4H;2-4H,1H3;1-4H,8H2.
What are the key properties of 1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone?
1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone has a molecular weight of 1778.67 g/mol, XLogP of 17.84, 16 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-bromophenyl)-4-hydroxy-4-(6-methoxy-3-pyridinyl)imidazolidin-2-one;4-bromoaniline;1-bromo-4-isocyanatobenzene;5-bromo-2-methoxypyridine;2-bromo-1-(6-methoxy-3-pyridinyl)ethanone;3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one;1-(6-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 161119067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).