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

C26H24ClFN2O3S — CID 15947283

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

2-[2-(2-chloro-3-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 15947283) has the molecular formula C26H24ClFN2O3S and a molecular weight of 499.01 g/mol. Its IUPAC name is 2-[2-(2-chloro-3-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[2-(2-chloro-3-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
• PubChem CID: 15947283
• Molecular Formula: C26H24ClFN2O3S
• Molecular Weight: 499.01 g/mol
• Exact Mass: 498.12
• IUPAC Name: 2-[2-(2-chloro-3-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
• SMILES: CCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3cccc(F)c3Cl)cc2)c1
• InChI: InChI=1S/C26H24ClFN2O3S/c1-4-34(32,33)20-8-5-7-18(15-20)17-11-13-19(14-12-17)30-16-23(26(2,3)31)29-25(30)21-9-6-10-22(28)24(21)27/h5-16,31H,4H2,1-3H3
• InChIKey: XEQNPQBWXZTCHB-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 72.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.01
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-(2-chloro-3-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol (CID 15947283) is 2-[2-(2-chloro-3-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol.

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

The canonical SMILES for 2-[2-(2-chloro-3-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol is CCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3cccc(F)c3Cl)cc2)c1.

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

The InChIKey is XEQNPQBWXZTCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN2O3S/c1-4-34(32,33)20-8-5-7-18(15-20)17-11-13-19(14-12-17)30-16-23(26(2,3)31)29-25(30)21-9-6-10-22(28)24(21)27/h5-16,31H,4H2,1-3H3.

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

2-[2-(2-chloro-3-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 499.01 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-chloro-3-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 15947283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).