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

C26H25FN2O3S — CID 11984532

IUPAC2-[2-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(Cc2ccccc2F)n1
InChIInChI=1S/C26H25FN2O3S/c1-26(2,30)24-17-29(25(28-24)16-20-7-4-5-10-23(20)27)21-13-11-18(12-14-21)19-8-6-9-22(15-19)33(3,31)32/h4-15,17,30H,16H2,1-3H3
InChIKeyUYJFLUFIAZQMHR-UHFFFAOYSA-N
MW464.56 g/mol
LogP4.90
Rot. Bonds6

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

2-[2-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 11984532) has the molecular formula C26H25FN2O3S and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID11984532
Molecular FormulaC26H25FN2O3S
Molecular Weight464.56 g/mol
Exact Mass464.16
IUPAC Name2-[2-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(Cc2ccccc2F)n1
InChIInChI=1S/C26H25FN2O3S/c1-26(2,30)24-17-29(25(28-24)16-20-7-4-5-10-23(20)27)21-13-11-18(12-14-21)19-8-6-9-22(15-19)33(3,31)32/h4-15,17,30H,16H2,1-3H3
InChIKeyUYJFLUFIAZQMHR-UHFFFAOYSA-N
XLogP4.90
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)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-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol (CID 11984532) is 2-[2-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(Cc2ccccc2F)n1.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is UYJFLUFIAZQMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O3S/c1-26(2,30)24-17-29(25(28-24)16-20-7-4-5-10-23(20)27)21-13-11-18(12-14-21)19-8-6-9-22(15-19)33(3,31)32/h4-15,17,30H,16H2,1-3H3.
What are the key properties of 2-[2-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[2-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 464.56 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 11984532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).