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

C25H21ClF2N2O3S — CID 59251484

IUPAC2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C25H21ClF2N2O3S/c1-25(2,31)22-14-30(24(29-22)23-19(27)8-5-9-20(23)28)21-11-10-16(13-18(21)26)15-6-4-7-17(12-15)34(3,32)33/h4-14,31H,1-3H3
InChIKeyJRTSIHICLSAKLO-UHFFFAOYSA-N
MW502.97 g/mol
LogP5.77
Rot. Bonds5

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

2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol (PubChem CID 59251484) has the molecular formula C25H21ClF2N2O3S and a molecular weight of 502.97 g/mol. Its IUPAC name is 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol
PubChem CID59251484
Molecular FormulaC25H21ClF2N2O3S
Molecular Weight502.97 g/mol
Exact Mass502.09
IUPAC Name2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C25H21ClF2N2O3S/c1-25(2,31)22-14-30(24(29-22)23-19(27)8-5-9-20(23)28)21-11-10-16(13-18(21)26)15-6-4-7-17(12-15)34(3,32)33/h4-14,31H,1-3H3
InChIKeyJRTSIHICLSAKLO-UHFFFAOYSA-N
XLogP5.77
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.97
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol (CID 59251484) is 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol?
The InChIKey is JRTSIHICLSAKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N2O3S/c1-25(2,31)22-14-30(24(29-22)23-19(27)8-5-9-20(23)28)21-11-10-16(13-18(21)26)15-6-4-7-17(12-15)34(3,32)33/h4-14,31H,1-3H3.
What are the key properties of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol?
2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol has a molecular weight of 502.97 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).