2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol

C28H27Cl2FN2O4S — CID 59251372

IUPAC2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-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)cc2Cl)c(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C28H27Cl2FN2O4S/c1-27(2,34)18-11-9-17(14-23(18)38(5,36)37)16-10-12-22(20(30)13-16)33-15-24(28(3,4)35)32-26(33)25-19(29)7-6-8-21(25)31/h6-15,34-35H,1-5H3
InChIKeyOPXXLHORMJKYGD-UHFFFAOYSA-N
MW577.51 g/mol
LogP6.51
Rot. Bonds6

About 2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol

2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol (PubChem CID 59251372) has the molecular formula C28H27Cl2FN2O4S and a molecular weight of 577.51 g/mol. Its IUPAC name is 2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol
PubChem CID59251372
Molecular FormulaC28H27Cl2FN2O4S
Molecular Weight577.51 g/mol
Exact Mass576.11
IUPAC Name2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-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)cc2Cl)c(-c2c(F)cccc2Cl)n1
InChIInChI=1S/C28H27Cl2FN2O4S/c1-27(2,34)18-11-9-17(14-23(18)38(5,36)37)16-10-12-22(20(30)13-16)33-15-24(28(3,4)35)32-26(33)25-19(29)7-6-8-21(25)31/h6-15,34-35H,1-5H3
InChIKeyOPXXLHORMJKYGD-UHFFFAOYSA-N
XLogP6.51
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.51
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Bms-852927
CID 49787490
Bms-779788
CID 59251511
2-[2-[2-(2-Chloro-6-fluorophenyl)propan-2-yl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
CID 49822226
2-[2-[(2-Chlorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251553
2-(1-(3'-fluoro-4'-(hydroxymethyl)-5'-(methylsulfonyl)biphenyl-4-yl)-2-(2-(2-fluorophenyl)propan-2-yl)-1H-imidazol-4-yl)propan-2-ol
CID 49821979
2-[1-[2-Chloro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]-2-[2-(2,6-dichlorophenyl)propan-2-yl]imidazol-4-yl]propan-2-ol
CID 49821981
2-[2-[1-(2,6-Dichlorophenyl)ethyl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
CID 49822063
2-[2-[(2,6-Dichlorophenyl)methyl]-1-[4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
CID 49822066
2-[2-[2-(2-Chlorophenyl)propan-2-yl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
CID 49822147
2-[2-[2-(2,6-Dichlorophenyl)propan-2-yl]-1-[4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
CID 49822148
2-[2-[2-(2-Chloro-3-fluorophenyl)propan-2-yl]-1-[4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
CID 49822225
2-[2-(2,6-Dichloro-phenyl)-1-(3'-methanesulfonyl-biphenyl-4-yl)-1H-imidazol-4-yl]-propan-2-ol
CID 59251431

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol?
The IUPAC name of 2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol (CID 59251372) is 2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol?
The canonical SMILES for 2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-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)cc2Cl)c(-c2c(F)cccc2Cl)n1.
What is the InChIKey of 2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol?
The InChIKey is OPXXLHORMJKYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2FN2O4S/c1-27(2,34)18-11-9-17(14-23(18)38(5,36)37)16-10-12-22(20(30)13-16)33-15-24(28(3,4)35)32-26(33)25-19(29)7-6-8-21(25)31/h6-15,34-35H,1-5H3.
What are the key properties of 2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol?
2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol has a molecular weight of 577.51 g/mol, XLogP of 6.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol is sourced from PubChem (CID 59251372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).