(5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione

C24H27BCl2N2O4 — CID 59075265

IUPAC(5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C24H27BCl2N2O4/c1-22(2)23(3,4)33-25(32-22)16-9-7-15(8-10-16)14-24(5)20(30)29(21(31)28(24)6)19-12-17(26)11-18(27)13-19/h7-13H,14H2,1-6H3/t24-/m1/s1
InChIKeyPRDLJWZOQMGXJF-XMMPIXPASA-N
MW489.21 g/mol
LogP4.69
Rot. Bonds4

About (5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione

(5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 59075265) has the molecular formula C24H27BCl2N2O4 and a molecular weight of 489.21 g/mol. Its IUPAC name is (5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID59075265
Molecular FormulaC24H27BCl2N2O4
Molecular Weight489.21 g/mol
Exact Mass488.14
IUPAC Name(5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C24H27BCl2N2O4/c1-22(2)23(3,4)33-25(32-22)16-9-7-15(8-10-16)14-24(5)20(30)29(21(31)28(24)6)19-12-17(26)11-18(27)13-19/h7-13H,14H2,1-6H3/t24-/m1/s1
InChIKeyPRDLJWZOQMGXJF-XMMPIXPASA-N
XLogP4.69
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.21
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione
CID 59075288
1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 18682394
(5R)-1-(4-aminobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 59879535
4-[5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butanoic acid
CID 18682541
5-[(4-bromo-2-methoxyphenyl)methyl]-3-(3,5-dichlorophenyl)-1,5-dimethylimidazolidine-2,4-dione
CID 18682570
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
(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazo[1,2-a]imidazole-3-sulfonamide
CID 143421038
2-[4-(2-chloroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176899707
2-[4-(chloromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46739086
(5R)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-1-(1-ethylpiperidin-4-yl)-5-methylimidazolidine-2,4-dione
CID 59075315
4-hydroxy-3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazol-2-one
CID 123776067
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]azetidine
CID 68594445

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione (CID 59075265) is (5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione is CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of (5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is PRDLJWZOQMGXJF-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27BCl2N2O4/c1-22(2)23(3,4)33-25(32-22)16-9-7-15(8-10-16)14-24(5)20(30)29(21(31)28(24)6)19-12-17(26)11-18(27)13-19/h7-13H,14H2,1-6H3/t24-/m1/s1.
What are the key properties of (5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione?
(5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 489.21 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(3,5-dichlorophenyl)-1,5-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 59075265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).