2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane

C24H22ClFN2O2S — CID 142958781

IUPAC2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane
SMILESCC.CS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClFN2O2S.C2H6/c1-29(27,28)20-12-10-19(11-13-20)26-14-21(15-4-8-18(24)9-5-15)25-22(26)16-2-6-17(23)7-3-16;1-2/h2-14H,1H3;1-2H3
InChIKeyJYRVLXVVUJXDRX-UHFFFAOYSA-N
MW456.97 g/mol
LogP6.43
Rot. Bonds4

About 2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane

2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane (PubChem CID 142958781) has the molecular formula C24H22ClFN2O2S and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane
PubChem CID142958781
Molecular FormulaC24H22ClFN2O2S
Molecular Weight456.97 g/mol
Exact Mass456.11
IUPAC Name2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane
SMILESCC.CS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClFN2O2S.C2H6/c1-29(27,28)20-12-10-19(11-13-20)26-14-21(15-4-8-18(24)9-5-15)25-22(26)16-2-6-17(23)7-3-16;1-2/h2-14H,1H3;1-2H3
InChIKeyJYRVLXVVUJXDRX-UHFFFAOYSA-N
XLogP6.43
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.97
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane?
The IUPAC name of 2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane (CID 142958781) is 2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane?
The canonical SMILES for 2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane is CC.CS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane?
The InChIKey is JYRVLXVVUJXDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O2S.C2H6/c1-29(27,28)20-12-10-19(11-13-20)26-14-21(15-4-8-18(24)9-5-15)25-22(26)16-2-6-17(23)7-3-16;1-2/h2-14H,1H3;1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane?
2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane has a molecular weight of 456.97 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane is sourced from PubChem (CID 142958781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).