1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole

C25H23ClN2O2S — CID 141164393

IUPAC1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole
SMILESCC(C)c1ccccc1-c1nccn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1Cl
InChIInChI=1S/C25H23ClN2O2S/c1-17(2)21-9-4-5-10-22(21)25-27-13-14-28(25)24-12-11-19(16-23(24)26)18-7-6-8-20(15-18)31(3,29)30/h4-17H,1-3H3
InChIKeyYAMWXXDNUFSRGN-UHFFFAOYSA-N
MW450.99 g/mol
LogP6.39
Rot. Bonds5

About 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole

1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole (PubChem CID 141164393) has the molecular formula C25H23ClN2O2S and a molecular weight of 450.99 g/mol. Its IUPAC name is 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole.

Molecular Properties

Compound Name1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole
PubChem CID141164393
Molecular FormulaC25H23ClN2O2S
Molecular Weight450.99 g/mol
Exact Mass450.12
IUPAC Name1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole
SMILESCC(C)c1ccccc1-c1nccn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1Cl
InChIInChI=1S/C25H23ClN2O2S/c1-17(2)21-9-4-5-10-22(21)25-27-13-14-28(25)24-12-11-19(16-23(24)26)18-7-6-8-20(15-18)31(3,29)30/h4-17H,1-3H3
InChIKeyYAMWXXDNUFSRGN-UHFFFAOYSA-N
XLogP6.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.99
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole
CID 141164353
2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole
CID 141164467
[4-[3-chloro-4-(2-naphthalen-1-ylimidazol-1-yl)phenyl]-2-methylsulfonylphenyl]methanol
CID 141164474
1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-(1-nitrosoethyl)-2-(2-propan-2-ylphenyl)imidazole
CID 123434560
3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine
CID 90162283
2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol
CID 59251562
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-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole
CID 59240328
2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole
CID 141164408
3-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2,6-dichlorophenyl)imidazol-4-yl]-1,3-oxazolidine
CID 90113652
CID 162072603
CID 162072603

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole?
The IUPAC name of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole (CID 141164393) is 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole.
What is the SMILES notation for 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole?
The canonical SMILES for 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole is CC(C)c1ccccc1-c1nccn1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole?
The InChIKey is YAMWXXDNUFSRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2S/c1-17(2)21-9-4-5-10-22(21)25-27-13-14-28(25)24-12-11-19(16-23(24)26)18-7-6-8-20(15-18)31(3,29)30/h4-17H,1-3H3.
What are the key properties of 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole?
1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole has a molecular weight of 450.99 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole is sourced from PubChem (CID 141164393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).