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

C54H44Br7N7O5 — CID 159588272

IUPAC1,3-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
SMILESBr.Nc1ccc(Br)cc1.O=C(CBr)c1cccnc1.O=C(CCc1ccc(Br)cc1)c1cccnc1.O=C1N(c2ccc(Br)cc2)CC(O)(c2cccnc2)N1c1ccc(Br)cc1.O=C=Nc1ccc(Br)cc1
InChIInChI=1S/C20H15Br2N3O2.C14H12BrNO.C7H4BrNO.C7H6BrNO.C6H6BrN.BrH/c21-15-3-7-17(8-4-15)24-13-20(27,14-2-1-11-23-12-14)25(19(24)26)18-9-5-16(22)6-10-18;15-13-6-3-11(4-7-13)5-8-14(17)12-2-1-9-16-10-12;8-6-1-3-7(4-2-6)9-5-10;8-4-7(10)6-2-1-3-9-5-6;7-5-1-3-6(8)4-2-5;/h1-12,27H,13H2;1-4,6-7,9-10H,5,8H2;1-4H;1-3,5H,4H2;1-4H,8H2;1H
InChIKeyUYIDYCSSNXJUDT-UHFFFAOYSA-N
MW1430.32 g/mol
LogP15.24
Rot. Bonds10

About 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

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 (PubChem CID 159588272) has the molecular formula C54H44Br7N7O5 and a molecular weight of 1430.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3-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
PubChem CID159588272
Molecular FormulaC54H44Br7N7O5
Molecular Weight1430.32 g/mol
Exact Mass1422.77
IUPAC Name1,3-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
SMILESBr.Nc1ccc(Br)cc1.O=C(CBr)c1cccnc1.O=C(CCc1ccc(Br)cc1)c1cccnc1.O=C1N(c2ccc(Br)cc2)CC(O)(c2cccnc2)N1c1ccc(Br)cc1.O=C=Nc1ccc(Br)cc1
InChIInChI=1S/C20H15Br2N3O2.C14H12BrNO.C7H4BrNO.C7H6BrNO.C6H6BrN.BrH/c21-15-3-7-17(8-4-15)24-13-20(27,14-2-1-11-23-12-14)25(19(24)26)18-9-5-16(22)6-10-18;15-13-6-3-11(4-7-13)5-8-14(17)12-2-1-9-16-10-12;8-6-1-3-7(4-2-6)9-5-10;8-4-7(10)6-2-1-3-9-5-6;7-5-1-3-6(8)4-2-5;/h1-12,27H,13H2;1-4,6-7,9-10H,5,8H2;1-4H;1-3,5H,4H2;1-4H,8H2;1H
InChIKeyUYIDYCSSNXJUDT-UHFFFAOYSA-N
XLogP15.24
TPSA172.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001430.32
LogP ≤ 515.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-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 with MolForge

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Br.Nc1ccc(Br)cc1.O=C(CBr)c1cccnc1.O=C(CCc1ccc(Br)cc1)c1cccnc1.O=C1N(c2ccc(Br)cc2)CC(O)(c2cccnc2)N1c1ccc(Br)cc1.O=C=Nc1ccc(Br)cc1.
What is the InChIKey of 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?
The InChIKey is UYIDYCSSNXJUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br2N3O2.C14H12BrNO.C7H4BrNO.C7H6BrNO.C6H6BrN.BrH/c21-15-3-7-17(8-4-15)24-13-20(27,14-2-1-11-23-12-14)25(19(24)26)18-9-5-16(22)6-10-18;15-13-6-3-11(4-7-13)5-8-14(17)12-2-1-9-16-10-12;8-6-1-3-7(4-2-6)9-5-10;8-4-7(10)6-2-1-3-9-5-6;7-5-1-3-6(8)4-2-5;/h1-12,27H,13H2;1-4,6-7,9-10H,5,8H2;1-4H;1-3,5H,4H2;1-4H,8H2;1H.
What are the key properties of 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?
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 has a molecular weight of 1430.32 g/mol, XLogP of 15.24, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159588272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).