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

C27H28N2O3S — CID 15947285

IUPAC2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCCc1ccccc1-c1nc(C(C)(C)O)cn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C27H28N2O3S/c1-5-19-9-6-7-12-24(19)26-28-25(27(2,3)30)18-29(26)22-15-13-20(14-16-22)21-10-8-11-23(17-21)33(4,31)32/h6-18,30H,5H2,1-4H3
InChIKeyXWDCSDWGJPIKPS-UHFFFAOYSA-N
MW460.60 g/mol
LogP5.40
Rot. Bonds6

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

2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 15947285) has the molecular formula C27H28N2O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID15947285
Molecular FormulaC27H28N2O3S
Molecular Weight460.60 g/mol
Exact Mass460.18
IUPAC Name2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCCc1ccccc1-c1nc(C(C)(C)O)cn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C27H28N2O3S/c1-5-19-9-6-7-12-24(19)26-28-25(27(2,3)30)18-29(26)22-15-13-20(14-16-22)21-10-8-11-23(17-21)33(4,31)32/h6-18,30H,5H2,1-4H3
InChIKeyXWDCSDWGJPIKPS-UHFFFAOYSA-N
XLogP5.40
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-ethylphenyl)-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-ethylphenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol (CID 15947285) is 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol is CCc1ccccc1-c1nc(C(C)(C)O)cn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is XWDCSDWGJPIKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3S/c1-5-19-9-6-7-12-24(19)26-28-25(27(2,3)30)18-29(26)22-15-13-20(14-16-22)21-10-8-11-23(17-21)33(4,31)32/h6-18,30H,5H2,1-4H3.
What are the key properties of 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 460.60 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 15947285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).