2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole

C27H28N2O2S — CID 141164467

IUPAC2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole
SMILESCCS(=O)(=O)c1cccc(-c2ccc(-c3nccn3-c3ccccc3C(C)C)c(C)c2)c1
InChIInChI=1S/C27H28N2O2S/c1-5-32(30,31)23-10-8-9-21(18-23)22-13-14-25(20(4)17-22)27-28-15-16-29(27)26-12-7-6-11-24(26)19(2)3/h6-19H,5H2,1-4H3
InChIKeyLMEGCQLQQGZAJR-UHFFFAOYSA-N
MW444.60 g/mol
LogP6.43
Rot. Bonds6

About 2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole

2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole (PubChem CID 141164467) has the molecular formula C27H28N2O2S and a molecular weight of 444.60 g/mol. Its IUPAC name is 2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole.

Molecular Properties

Compound Name2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole
PubChem CID141164467
Molecular FormulaC27H28N2O2S
Molecular Weight444.60 g/mol
Exact Mass444.19
IUPAC Name2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole
SMILESCCS(=O)(=O)c1cccc(-c2ccc(-c3nccn3-c3ccccc3C(C)C)c(C)c2)c1
InChIInChI=1S/C27H28N2O2S/c1-5-32(30,31)23-10-8-9-21(18-23)22-13-14-25(20(4)17-22)27-28-15-16-29(27)26-12-7-6-11-24(26)19(2)3/h6-19H,5H2,1-4H3
InChIKeyLMEGCQLQQGZAJR-UHFFFAOYSA-N
XLogP6.43
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole
CID 141164408
1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole
CID 141164393
2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol
CID 59251338
2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole
CID 141164353
1-[2-(2-methylpropyl)phenyl]-2-naphthalen-2-ylimidazole
CID 58947399
1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]-4-(1-nitrosoethyl)-2-(2-propan-2-ylphenyl)imidazole
CID 123434560
2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol
CID 59251326
ethane;4-[[4-(3-ethylsulfonylphenyl)-2-methylphenoxy]methyl]-1-methylpiperidine
CID 143656895
2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane
CID 145383767
2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetonitrile
CID 134010477
2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane
CID 144541473
CID 162072603
CID 162072603

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole?
The IUPAC name of 2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole (CID 141164467) is 2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole.
What is the SMILES notation for 2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole?
The canonical SMILES for 2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole is CCS(=O)(=O)c1cccc(-c2ccc(-c3nccn3-c3ccccc3C(C)C)c(C)c2)c1.
What is the InChIKey of 2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole?
The InChIKey is LMEGCQLQQGZAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2S/c1-5-32(30,31)23-10-8-9-21(18-23)22-13-14-25(20(4)17-22)27-28-15-16-29(27)26-12-7-6-11-24(26)19(2)3/h6-19H,5H2,1-4H3.
What are the key properties of 2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole?
2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole has a molecular weight of 444.60 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole is sourced from PubChem (CID 141164467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).