5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole

C19H20N2O2S — CID 141331497

IUPAC5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole
SMILESCC(C)c1ncc(-c2cccc(-c3ccccc3)c2S(C)(=O)=O)[nH]1
InChIInChI=1S/C19H20N2O2S/c1-13(2)19-20-12-17(21-19)16-11-7-10-15(18(16)24(3,22)23)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,20,21)
InChIKeyWOCXCJSZJQSDAW-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.27
Rot. Bonds4

About 5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole

5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole (PubChem CID 141331497) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole
PubChem CID141331497
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole
SMILESCC(C)c1ncc(-c2cccc(-c3ccccc3)c2S(C)(=O)=O)[nH]1
InChIInChI=1S/C19H20N2O2S/c1-13(2)19-20-12-17(21-19)16-11-7-10-15(18(16)24(3,22)23)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,20,21)
InChIKeyWOCXCJSZJQSDAW-UHFFFAOYSA-N
XLogP4.27
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole?
The IUPAC name of 5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole (CID 141331497) is 5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole.
What is the SMILES notation for 5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole?
The canonical SMILES for 5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole is CC(C)c1ncc(-c2cccc(-c3ccccc3)c2S(C)(=O)=O)[nH]1.
What is the InChIKey of 5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole?
The InChIKey is WOCXCJSZJQSDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13(2)19-20-12-17(21-19)16-11-7-10-15(18(16)24(3,22)23)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,20,21).
What are the key properties of 5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole?
5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole has a molecular weight of 340.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole is sourced from PubChem (CID 141331497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).