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

C26H24ClFN2O3S — CID 59251471

IUPAC2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCc1cc(-c2cccc(S(C)(=O)=O)c2)ccc1-n1cc(C(C)(C)O)nc1-c1c(F)cccc1Cl
InChIInChI=1S/C26H24ClFN2O3S/c1-16-13-18(17-7-5-8-19(14-17)34(4,32)33)11-12-22(16)30-15-23(26(2,3)31)29-25(30)24-20(27)9-6-10-21(24)28/h5-15,31H,1-4H3
InChIKeyJQLHNHAWZZLFJU-UHFFFAOYSA-N
MW499.01 g/mol
LogP5.94
Rot. Bonds5

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

2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251471) 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-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251471
Molecular FormulaC26H24ClFN2O3S
Molecular Weight499.01 g/mol
Exact Mass498.12
IUPAC Name2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCc1cc(-c2cccc(S(C)(=O)=O)c2)ccc1-n1cc(C(C)(C)O)nc1-c1c(F)cccc1Cl
InChIInChI=1S/C26H24ClFN2O3S/c1-16-13-18(17-7-5-8-19(14-17)34(4,32)33)11-12-22(16)30-15-23(26(2,3)31)29-25(30)24-20(27)9-6-10-21(24)28/h5-15,31H,1-4H3
InChIKeyJQLHNHAWZZLFJU-UHFFFAOYSA-N
XLogP5.94
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.01
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-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

Related Compounds

2-[2-(2,6-dichlorophenyl)-1-[2-fluoro-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 15948381
2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol;2-[2-(2,6-difluorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol;methane
CID 158433126
2-[2-(2-chloro-6-fluorophenyl)-1-(2-chlorophenyl)imidazol-4-yl]propan-2-ol
CID 141164391
2-[2-(3-chloro-2-methylphenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]-2-methylphenyl]imidazol-4-yl]propan-2-ol
CID 59251571
2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol
CID 59251562
2-[2-(3-chloro-2-methylphenyl)-1-[2-fluoro-4-(3-methylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 90377897
2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol
CID 59251326
4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-N-methoxy-N-methyl-2-methylsulfonylbenzamide;4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoic acid;ethyl 4-[3-chloro-4-[2-(2-chloro-6-fluorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylbenzoate
CID 160668357
2-[2-[2-(2-chlorophenyl)ethyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251361
2-[4-chloro-5-(2-chlorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]pyrazol-3-yl]propan-2-ol
CID 59631733
2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol
CID 59251338
2-[1-(2,6-dichlorophenyl)-2-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251279

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol (CID 59251471) is 2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol is Cc1cc(-c2cccc(S(C)(=O)=O)c2)ccc1-n1cc(C(C)(C)O)nc1-c1c(F)cccc1Cl.
What is the InChIKey of 2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is JQLHNHAWZZLFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN2O3S/c1-16-13-18(17-7-5-8-19(14-17)34(4,32)33)11-12-22(16)30-15-23(26(2,3)31)29-25(30)24-20(27)9-6-10-21(24)28/h5-15,31H,1-4H3.
What are the key properties of 2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 499.01 g/mol, XLogP of 5.94, 5 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-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).