4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole

C17H14ClFN2O3S — CID 10177830

IUPAC4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole
SMILESCOc1cc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)ccc1F
InChIInChI=1S/C17H14ClFN2O3S/c1-24-15-9-11(3-8-14(15)19)16-17(18)20-10-21(16)12-4-6-13(7-5-12)25(2,22)23/h3-10H,1-2H3
InChIKeyYYWVASBFSBFKTN-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.74
Rot. Bonds4

About 4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole

4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole (PubChem CID 10177830) has the molecular formula C17H14ClFN2O3S and a molecular weight of 380.83 g/mol. Its IUPAC name is 4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole.

Molecular Properties

Compound Name4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole
PubChem CID10177830
Molecular FormulaC17H14ClFN2O3S
Molecular Weight380.83 g/mol
Exact Mass380.04
IUPAC Name4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole
SMILESCOc1cc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)ccc1F
InChIInChI=1S/C17H14ClFN2O3S/c1-24-15-9-11(3-8-14(15)19)16-17(18)20-10-21(16)12-4-6-13(7-5-12)25(2,22)23/h3-10H,1-2H3
InChIKeyYYWVASBFSBFKTN-UHFFFAOYSA-N
XLogP3.74
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.74
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-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole?
The IUPAC name of 4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole (CID 10177830) is 4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole.
What is the SMILES notation for 4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole?
The canonical SMILES for 4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole is COc1cc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)ccc1F.
What is the InChIKey of 4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole?
The InChIKey is YYWVASBFSBFKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3S/c1-24-15-9-11(3-8-14(15)19)16-17(18)20-10-21(16)12-4-6-13(7-5-12)25(2,22)23/h3-10H,1-2H3.
What are the key properties of 4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole?
4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole has a molecular weight of 380.83 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole is sourced from PubChem (CID 10177830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).