4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole

C18H16ClFN2O3S — CID 10200696

IUPAC4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole
SMILESCCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H16ClFN2O3S/c1-3-25-16-9-4-12(10-15(16)20)17-18(19)21-11-22(17)13-5-7-14(8-6-13)26(2,23)24/h4-11H,3H2,1-2H3
InChIKeyLPHGSZBNJHFWKT-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.13
Rot. Bonds5

About 4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole

4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole (PubChem CID 10200696) has the molecular formula C18H16ClFN2O3S and a molecular weight of 394.86 g/mol. Its IUPAC name is 4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole.

Molecular Properties

Compound Name4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole
PubChem CID10200696
Molecular FormulaC18H16ClFN2O3S
Molecular Weight394.86 g/mol
Exact Mass394.06
IUPAC Name4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole
SMILESCCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H16ClFN2O3S/c1-3-25-16-9-4-12(10-15(16)20)17-18(19)21-11-22(17)13-5-7-14(8-6-13)26(2,23)24/h4-11H,3H2,1-2H3
InChIKeyLPHGSZBNJHFWKT-UHFFFAOYSA-N
XLogP4.13
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole?
The IUPAC name of 4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole (CID 10200696) is 4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole.
What is the SMILES notation for 4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole?
The canonical SMILES for 4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole is CCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1F.
What is the InChIKey of 4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole?
The InChIKey is LPHGSZBNJHFWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O3S/c1-3-25-16-9-4-12(10-15(16)20)17-18(19)21-11-22(17)13-5-7-14(8-6-13)26(2,23)24/h4-11H,3H2,1-2H3.
What are the key properties of 4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole?
4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole has a molecular weight of 394.86 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-ethoxy-3-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole is sourced from PubChem (CID 10200696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).