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

C26H24ClFN2O3S — CID 15947286

IUPAC2-[2-(2-chloro-6-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3c(F)cccc3Cl)cc2)c1
InChIInChI=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)24-21(27)9-6-10-22(24)28/h5-16,31H,4H2,1-3H3
InChIKeyFMNBVIBLQXLOJL-UHFFFAOYSA-N
MW499.01 g/mol
LogP6.02
Rot. Bonds6

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

2-[2-(2-chloro-6-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 15947286) has the molecular formula C26H24ClFN2O3S and a molecular weight of 499.01 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-chloro-6-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID15947286
Molecular FormulaC26H24ClFN2O3S
Molecular Weight499.01 g/mol
Exact Mass498.12
IUPAC Name2-[2-(2-chloro-6-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3c(F)cccc3Cl)cc2)c1
InChIInChI=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)24-21(27)9-6-10-22(24)28/h5-16,31H,4H2,1-3H3
InChIKeyFMNBVIBLQXLOJL-UHFFFAOYSA-N
XLogP6.02
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.01
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol (CID 15947286) is 2-[2-(2-chloro-6-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2-chloro-6-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2-chloro-6-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol is CCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3c(F)cccc3Cl)cc2)c1.
What is the InChIKey of 2-[2-(2-chloro-6-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is FMNBVIBLQXLOJL-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)24-21(27)9-6-10-22(24)28/h5-16,31H,4H2,1-3H3.
What are the key properties of 2-[2-(2-chloro-6-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[2-(2-chloro-6-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-6-fluorophenyl)-1-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 15947286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).