1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole

C17H15ClN2O3S — CID 22998023

IUPAC1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole
SMILESCOc1cn(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C17H15ClN2O3S/c1-23-16-11-20(14-7-5-13(18)6-8-14)17(19-16)12-3-9-15(10-4-12)24(2,21)22/h3-11H,1-2H3
InChIKeySEGADNXFOIOCHE-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.60
Rot. Bonds4

About 1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole

1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole (PubChem CID 22998023) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole
PubChem CID22998023
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole
SMILESCOc1cn(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C17H15ClN2O3S/c1-23-16-11-20(14-7-5-13(18)6-8-14)17(19-16)12-3-9-15(10-4-12)24(2,21)22/h3-11H,1-2H3
InChIKeySEGADNXFOIOCHE-UHFFFAOYSA-N
XLogP3.60
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole?
The IUPAC name of 1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole (CID 22998023) is 1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole.
What is the SMILES notation for 1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole?
The canonical SMILES for 1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole is COc1cn(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole?
The InChIKey is SEGADNXFOIOCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-23-16-11-20(14-7-5-13(18)6-8-14)17(19-16)12-3-9-15(10-4-12)24(2,21)22/h3-11H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole?
1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole has a molecular weight of 362.84 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole is sourced from PubChem (CID 22998023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).