2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione

C28H22BrCl2N3O4 — CID 59075228

IUPAC2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione
SMILESC[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H22BrCl2N3O4/c1-28(16-17-7-9-18(29)10-8-17)26(37)34(21-14-19(30)13-20(31)15-21)27(38)33(28)12-4-11-32-24(35)22-5-2-3-6-23(22)25(32)36/h2-3,5-10,13-15H,4,11-12,16H2,1H3/t28-/m1/s1
InChIKeyUYHVGXKOLCLMJK-MUUNZHRXSA-N
MW615.31 g/mol
LogP6.21
Rot. Bonds7

About 2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione

2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione (PubChem CID 59075228) has the molecular formula C28H22BrCl2N3O4 and a molecular weight of 615.31 g/mol. Its IUPAC name is 2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione
PubChem CID59075228
Molecular FormulaC28H22BrCl2N3O4
Molecular Weight615.31 g/mol
Exact Mass613.02
IUPAC Name2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione
SMILESC[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C28H22BrCl2N3O4/c1-28(16-17-7-9-18(29)10-8-17)26(37)34(21-14-19(30)13-20(31)15-21)27(38)33(28)12-4-11-32-24(35)22-5-2-3-6-23(22)25(32)36/h2-3,5-10,13-15H,4,11-12,16H2,1H3/t28-/m1/s1
InChIKeyUYHVGXKOLCLMJK-MUUNZHRXSA-N
XLogP6.21
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.31
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione (CID 59075228) is 2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione is C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)N1CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione?
The InChIKey is UYHVGXKOLCLMJK-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H22BrCl2N3O4/c1-28(16-17-7-9-18(29)10-8-17)26(37)34(21-14-19(30)13-20(31)15-21)27(38)33(28)12-4-11-32-24(35)22-5-2-3-6-23(22)25(32)36/h2-3,5-10,13-15H,4,11-12,16H2,1H3/t28-/m1/s1.
What are the key properties of 2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione?
2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione has a molecular weight of 615.31 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 59075228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).