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

C26H22ClF3N2O3S — CID 15948731

IUPAC2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C26H22ClF3N2O3S/c1-25(2,33)23-15-32(24(31-23)19-9-4-5-10-20(19)26(28,29)30)22-12-11-17(14-21(22)27)16-7-6-8-18(13-16)36(3,34)35/h4-15,33H,1-3H3
InChIKeyKAOYEZSWZZLLBH-UHFFFAOYSA-N
MW534.99 g/mol
LogP6.51
Rot. Bonds5

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

2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 15948731) has the molecular formula C26H22ClF3N2O3S and a molecular weight of 534.99 g/mol. Its IUPAC name is 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID15948731
Molecular FormulaC26H22ClF3N2O3S
Molecular Weight534.99 g/mol
Exact Mass534.10
IUPAC Name2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C26H22ClF3N2O3S/c1-25(2,33)23-15-32(24(31-23)19-9-4-5-10-20(19)26(28,29)30)22-12-11-17(14-21(22)27)16-7-6-8-18(13-16)36(3,34)35/h4-15,33H,1-3H3
InChIKeyKAOYEZSWZZLLBH-UHFFFAOYSA-N
XLogP6.51
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.99
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bms-779788
CID 59251511
2-[2-[2-(2-Chloro-6-fluorophenyl)propan-2-yl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
CID 49822226
2-[2-[(2-Chlorophenyl)methyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251553
1-[4-(Methylsulfonyl)phenyl]-2-[3-chloro-4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1H-imidazole
CID 10575260
2-[1-[2-Chloro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]-2-[2-(2,6-dichlorophenyl)propan-2-yl]imidazol-4-yl]propan-2-ol
CID 49821981
2-[2-[2-(2-Chlorophenyl)propan-2-yl]-1-[2-fluoro-4-[3-fluoro-4-(hydroxymethyl)-5-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
CID 49822147
2-(2-Chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole
CID 59251295
2-[2-(2,6-Dichloro-phenyl)-1-(3'-methanesulfonyl-biphenyl-4-yl)-1H-imidazol-4-yl]-propan-2-ol
CID 59251431
2-[1-[4-(3-Methylsulfonylphenyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-2-ol
CID 59251456
2-[2-[(2-Chlorophenyl)methyl]-1-[4-[4-(hydroxymethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
CID 59251574
2-[2-(2-Chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251592
2-[2-[2-(2,6-Dichlorophenyl)propan-2-yl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 117951324

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 15948731) is 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2Cl)c(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is KAOYEZSWZZLLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N2O3S/c1-25(2,33)23-15-32(24(31-23)19-9-4-5-10-20(19)26(28,29)30)22-12-11-17(14-21(22)27)16-7-6-8-18(13-16)36(3,34)35/h4-15,33H,1-3H3.
What are the key properties of 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 534.99 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 15948731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).