2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol

C26H23F3N2O3S — CID 15948616

IUPAC2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol
SMILESCCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3c(F)cccc3F)c(F)c2)c1
InChIInChI=1S/C26H23F3N2O3S/c1-4-35(33,34)18-8-5-7-16(13-18)17-11-12-22(21(29)14-17)31-15-23(26(2,3)32)30-25(31)24-19(27)9-6-10-20(24)28/h5-15,32H,4H2,1-3H3
InChIKeyZHPLDEOJMYAESA-UHFFFAOYSA-N
MW500.54 g/mol
LogP5.64
Rot. Bonds6

About 2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol

2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol (PubChem CID 15948616) has the molecular formula C26H23F3N2O3S and a molecular weight of 500.54 g/mol. Its IUPAC name is 2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol
PubChem CID15948616
Molecular FormulaC26H23F3N2O3S
Molecular Weight500.54 g/mol
Exact Mass500.14
IUPAC Name2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol
SMILESCCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3c(F)cccc3F)c(F)c2)c1
InChIInChI=1S/C26H23F3N2O3S/c1-4-35(33,34)18-8-5-7-16(13-18)17-11-12-22(21(29)14-17)31-15-23(26(2,3)32)30-25(31)24-19(27)9-6-10-20(24)28/h5-15,32H,4H2,1-3H3
InChIKeyZHPLDEOJMYAESA-UHFFFAOYSA-N
XLogP5.64
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.54
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol (CID 15948616) is 2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol is CCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3c(F)cccc3F)c(F)c2)c1.
What is the InChIKey of 2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is ZHPLDEOJMYAESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O3S/c1-4-35(33,34)18-8-5-7-16(13-18)17-11-12-22(21(29)14-17)31-15-23(26(2,3)32)30-25(31)24-19(27)9-6-10-20(24)28/h5-15,32H,4H2,1-3H3.
What are the key properties of 2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol?
2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 500.54 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-fluorophenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 15948616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).