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

C27H28N2O2S — CID 71219168

IUPAC2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCCc1ccccc1-c1nc(C(C)(C)O)cn1-c1ccc(-c2cccc(S(C)=O)c2)cc1
InChIInChI=1S/C27H28N2O2S/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)32(4)31/h6-18,30H,5H2,1-4H3
InChIKeyRWMIVFMKKMGRDB-UHFFFAOYSA-N
MW444.60 g/mol
LogP5.73
Rot. Bonds6

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

2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 71219168) has the molecular formula C27H28N2O2S and a molecular weight of 444.60 g/mol. Its IUPAC name is 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID71219168
Molecular FormulaC27H28N2O2S
Molecular Weight444.60 g/mol
Exact Mass444.19
IUPAC Name2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCCc1ccccc1-c1nc(C(C)(C)O)cn1-c1ccc(-c2cccc(S(C)=O)c2)cc1
InChIInChI=1S/C27H28N2O2S/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)32(4)31/h6-18,30H,5H2,1-4H3
InChIKeyRWMIVFMKKMGRDB-UHFFFAOYSA-N
XLogP5.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 90377946
2-[2-[2-(2-chlorophenyl)propan-2-yl]-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 90378002
2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251264
2-[1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251214
2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol
CID 59251333
2-[2-(2,6-difluorophenyl)-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
CID 59251663
2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-methylsulfonylphenyl]propan-2-ol
CID 59251660
2-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-[4-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]propan-2-ol
CID 59251617
2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,4,5-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251462
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-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251229
2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol
CID 59251338

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol (CID 71219168) is 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol is CCc1ccccc1-c1nc(C(C)(C)O)cn1-c1ccc(-c2cccc(S(C)=O)c2)cc1.
What is the InChIKey of 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is RWMIVFMKKMGRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2S/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)32(4)31/h6-18,30H,5H2,1-4H3.
What are the key properties of 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 444.60 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 71219168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).