(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

C24H25BCl2N4O5S — CID 143421038

IUPAC(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
SMILESCC1OB(c2ccc(C[C@]3(C)C(=O)N(c4cc(Cl)cc(Cl)c4)c4ncc(S(N)(=O)=O)n43)cc2)OC1(C)C
InChIInChI=1S/C24H25BCl2N4O5S/c1-14-23(2,3)36-25(35-14)16-7-5-15(6-8-16)12-24(4)21(32)30(19-10-17(26)9-18(27)11-19)22-29-13-20(31(22)24)37(28,33)34/h5-11,13-14H,12H2,1-4H3,(H2,28,33,34)/t14?,24-/m1/s1
InChIKeyMANDJASBZDBFMK-PYFQUHSISA-N
MW563.27 g/mol
LogP3.38
Rot. Bonds5

About (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

(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 (PubChem CID 143421038) has the molecular formula C24H25BCl2N4O5S and a molecular weight of 563.27 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID143421038
Molecular FormulaC24H25BCl2N4O5S
Molecular Weight563.27 g/mol
Exact Mass562.10
IUPAC Name(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
SMILESCC1OB(c2ccc(C[C@]3(C)C(=O)N(c4cc(Cl)cc(Cl)c4)c4ncc(S(N)(=O)=O)n43)cc2)OC1(C)C
InChIInChI=1S/C24H25BCl2N4O5S/c1-14-23(2,3)36-25(35-14)16-7-5-15(6-8-16)12-24(4)21(32)30(19-10-17(26)9-18(27)11-19)22-29-13-20(31(22)24)37(28,33)34/h5-11,13-14H,12H2,1-4H3,(H2,28,33,34)/t14?,24-/m1/s1
InChIKeyMANDJASBZDBFMK-PYFQUHSISA-N
XLogP3.38
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1OB(c2ccc(C[C@]3(C)C(=O)N(c4cc(Cl)cc(Cl)c4)c4ncc(S(N)(=O)=O)n43)cc2)OC1(C)C.
What is the InChIKey of (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?
The InChIKey is MANDJASBZDBFMK-PYFQUHSISA-N. The full InChI is InChI=1S/C24H25BCl2N4O5S/c1-14-23(2,3)36-25(35-14)16-7-5-15(6-8-16)12-24(4)21(32)30(19-10-17(26)9-18(27)11-19)22-29-13-20(31(22)24)37(28,33)34/h5-11,13-14H,12H2,1-4H3,(H2,28,33,34)/t14?,24-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 563.27 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 143421038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).