2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol

C26H24F2N2O4S — CID 59251663

IUPAC2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc(CO)c(S(C)(=O)=O)c3)cc2)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C26H24F2N2O4S/c1-26(2,32)23-14-30(25(29-23)24-20(27)5-4-6-21(24)28)19-11-9-16(10-12-19)17-7-8-18(15-31)22(13-17)35(3,33)34/h4-14,31-32H,15H2,1-3H3
InChIKeyNYXAATTZXXRFCP-UHFFFAOYSA-N
MW498.55 g/mol
LogP4.61
Rot. Bonds6

About 2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol

2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251663) has the molecular formula C26H24F2N2O4S and a molecular weight of 498.55 g/mol. Its IUPAC name is 2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251663
Molecular FormulaC26H24F2N2O4S
Molecular Weight498.55 g/mol
Exact Mass498.14
IUPAC Name2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc(CO)c(S(C)(=O)=O)c3)cc2)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C26H24F2N2O4S/c1-26(2,32)23-14-30(25(29-23)24-20(27)5-4-6-21(24)28)19-11-9-16(10-12-19)17-7-8-18(15-31)22(13-17)35(3,33)34/h4-14,31-32H,15H2,1-3H3
InChIKeyNYXAATTZXXRFCP-UHFFFAOYSA-N
XLogP4.61
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-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-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol (CID 59251663) is 2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3ccc(CO)c(S(C)(=O)=O)c3)cc2)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is NYXAATTZXXRFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O4S/c1-26(2,32)23-14-30(25(29-23)24-20(27)5-4-6-21(24)28)19-11-9-16(10-12-19)17-7-8-18(15-31)22(13-17)35(3,33)34/h4-14,31-32H,15H2,1-3H3.
What are the key properties of 2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol?
2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 498.55 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).