2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol

C28H28Cl2N2O4S — CID 59251660

IUPAC2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc(C(C)(C)O)c(S(C)(=O)=O)c3)cc2)c(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C28H28Cl2N2O4S/c1-27(2,33)21-14-11-18(15-23(21)37(5,35)36)17-9-12-19(13-10-17)32-16-24(28(3,4)34)31-26(32)20-7-6-8-22(29)25(20)30/h6-16,33-34H,1-5H3
InChIKeyKAONQBJAPRDAMG-UHFFFAOYSA-N
MW559.52 g/mol
LogP6.37
Rot. Bonds6

About 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol

2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol (PubChem CID 59251660) has the molecular formula C28H28Cl2N2O4S and a molecular weight of 559.52 g/mol. Its IUPAC name is 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol
PubChem CID59251660
Molecular FormulaC28H28Cl2N2O4S
Molecular Weight559.52 g/mol
Exact Mass558.11
IUPAC Name2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc(C(C)(C)O)c(S(C)(=O)=O)c3)cc2)c(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C28H28Cl2N2O4S/c1-27(2,33)21-14-11-18(15-23(21)37(5,35)36)17-9-12-19(13-10-17)32-16-24(28(3,4)34)31-26(32)20-7-6-8-22(29)25(20)30/h6-16,33-34H,1-5H3
InChIKeyKAONQBJAPRDAMG-UHFFFAOYSA-N
XLogP6.37
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.52
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol 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 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol?
The IUPAC name of 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol (CID 59251660) is 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol?
The canonical SMILES for 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3ccc(C(C)(C)O)c(S(C)(=O)=O)c3)cc2)c(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol?
The InChIKey is KAONQBJAPRDAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N2O4S/c1-27(2,33)21-14-11-18(15-23(21)37(5,35)36)17-9-12-19(13-10-17)32-16-24(28(3,4)34)31-26(32)20-7-6-8-22(29)25(20)30/h6-16,33-34H,1-5H3.
What are the key properties of 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol?
2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol has a molecular weight of 559.52 g/mol, XLogP of 6.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol is sourced from PubChem (CID 59251660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).