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

C26H24ClFN2O3S — CID 15948613

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

2-[2-(2-chloro-6-methylphenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 15948613) has the molecular formula C26H24ClFN2O3S and a molecular weight of 499.01 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-methylphenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[2-(2-chloro-6-methylphenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
• PubChem CID: 15948613
• Molecular Formula: C26H24ClFN2O3S
• Molecular Weight: 499.01 g/mol
• Exact Mass: 498.12
• IUPAC Name: 2-[2-(2-chloro-6-methylphenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
• SMILES: Cc1cccc(Cl)c1-c1nc(C(C)(C)O)cn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1F
• InChI: InChI=1S/C26H24ClFN2O3S/c1-16-7-5-10-20(27)24(16)25-29-23(26(2,3)31)15-30(25)22-12-11-18(14-21(22)28)17-8-6-9-19(13-17)34(4,32)33/h5-15,31H,1-4H3
• InChIKey: XLLLPTJNLOTISI-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 72.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.01
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-(2-chloro-6-methylphenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol (CID 15948613) is 2-[2-(2-chloro-6-methylphenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol.

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

The canonical SMILES for 2-[2-(2-chloro-6-methylphenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol is Cc1cccc(Cl)c1-c1nc(C(C)(C)O)cn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1F.

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

The InChIKey is XLLLPTJNLOTISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN2O3S/c1-16-7-5-10-20(27)24(16)25-29-23(26(2,3)31)15-30(25)22-12-11-18(14-21(22)28)17-8-6-9-19(13-17)34(4,32)33/h5-15,31H,1-4H3.

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

2-[2-(2-chloro-6-methylphenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 499.01 g/mol, XLogP of 5.94, 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-methylphenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 15948613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).