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

C25H23FN2O2S — CID 90377946

IUPAC2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCS(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C25H23FN2O2S/c1-25(2,29)23-16-28(24(27-23)18-7-11-20(26)12-8-18)21-13-9-17(10-14-21)19-5-4-6-22(15-19)31(3)30/h4-16,29H,1-3H3
InChIKeyKELGGAPIJWDFRS-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.31
Rot. Bonds5

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

2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 90377946) has the molecular formula C25H23FN2O2S and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID90377946
Molecular FormulaC25H23FN2O2S
Molecular Weight434.54 g/mol
Exact Mass434.15
IUPAC Name2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCS(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C25H23FN2O2S/c1-25(2,29)23-16-28(24(27-23)18-7-11-20(26)12-8-18)21-13-9-17(10-14-21)19-5-4-6-22(15-19)31(3)30/h4-16,29H,1-3H3
InChIKeyKELGGAPIJWDFRS-UHFFFAOYSA-N
XLogP5.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol (CID 90377946) is 2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol is CS(=O)c1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccc(F)cc3)cc2)c1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is KELGGAPIJWDFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2S/c1-25(2,29)23-16-28(24(27-23)18-7-11-20(26)12-8-18)21-13-9-17(10-14-21)19-5-4-6-22(15-19)31(3)30/h4-16,29H,1-3H3.
What are the key properties of 2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 434.54 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 90377946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).