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

C28H30N2O3S — CID 15947284

IUPAC2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol
SMILESCC(C)c1ccccc1-c1nc(C(C)(C)O)cn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C28H30N2O3S/c1-19(2)24-11-6-7-12-25(24)27-29-26(28(3,4)31)18-30(27)22-15-13-20(14-16-22)21-9-8-10-23(17-21)34(5,32)33/h6-19,31H,1-5H3
InChIKeyWSVHBYAJJINXEB-UHFFFAOYSA-N
MW474.63 g/mol
LogP5.96
Rot. Bonds6

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

2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol (PubChem CID 15947284) has the molecular formula C28H30N2O3S and a molecular weight of 474.63 g/mol. Its IUPAC name is 2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol
PubChem CID15947284
Molecular FormulaC28H30N2O3S
Molecular Weight474.63 g/mol
Exact Mass474.20
IUPAC Name2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol
SMILESCC(C)c1ccccc1-c1nc(C(C)(C)O)cn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C28H30N2O3S/c1-19(2)24-11-6-7-12-25(24)27-29-26(28(3,4)31)18-30(27)22-15-13-20(14-16-22)21-9-8-10-23(17-21)34(5,32)33/h6-19,31H,1-5H3
InChIKeyWSVHBYAJJINXEB-UHFFFAOYSA-N
XLogP5.96
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol (CID 15947284) is 2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol is CC(C)c1ccccc1-c1nc(C(C)(C)O)cn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of 2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol?
The InChIKey is WSVHBYAJJINXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3S/c1-19(2)24-11-6-7-12-25(24)27-29-26(28(3,4)31)18-30(27)22-15-13-20(14-16-22)21-9-8-10-23(17-21)34(5,32)33/h6-19,31H,1-5H3.
What are the key properties of 2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol?
2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol has a molecular weight of 474.63 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 15947284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).