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

C25H21ClF2N2O3S — CID 15948730

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

2-[2-(2-chloro-6-fluorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 15948730) has the molecular formula C25H21ClF2N2O3S and a molecular weight of 502.97 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-fluorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[2-(2-chloro-6-fluorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
• PubChem CID: 15948730
• Molecular Formula: C25H21ClF2N2O3S
• Molecular Weight: 502.97 g/mol
• Exact Mass: 502.09
• IUPAC Name: 2-[2-(2-chloro-6-fluorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
• SMILES: CC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2F)c(-c2c(F)cccc2Cl)n1
• InChI: InChI=1S/C25H21ClF2N2O3S/c1-25(2,31)22-14-30(24(29-22)23-18(26)8-5-9-19(23)27)21-11-10-16(13-20(21)28)15-6-4-7-17(12-15)34(3,32)33/h4-14,31H,1-3H3
• InChIKey: WGNCFHNUHIIDJP-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 72.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.97
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?

The IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol (CID 15948730) is 2-[2-(2-chloro-6-fluorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol.

What is the SMILES notation for 2-[2-(2-chloro-6-fluorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?

The canonical SMILES for 2-[2-(2-chloro-6-fluorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2F)c(-c2c(F)cccc2Cl)n1.

What is the InChIKey of 2-[2-(2-chloro-6-fluorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?

The InChIKey is WGNCFHNUHIIDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N2O3S/c1-25(2,31)22-14-30(24(29-22)23-18(26)8-5-9-19(23)27)21-11-10-16(13-20(21)28)15-6-4-7-17(12-15)34(3,32)33/h4-14,31H,1-3H3.

What are the key properties of 2-[2-(2-chloro-6-fluorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?

2-[2-(2-chloro-6-fluorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]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-[2-(2-chloro-6-fluorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 15948730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).