(5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole

C18H16F4N2O3S — CID 142918719

IUPAC(5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole
SMILESCOc1ccc(C2=N[C@@](C(F)(F)F)(S(C)(=O)=O)CN2c2ccccc2)cc1F
InChIInChI=1S/C18H16F4N2O3S/c1-27-15-9-8-12(10-14(15)19)16-23-17(18(20,21)22,28(2,25)26)11-24(16)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3/t17-/m1/s1
InChIKeyLOPFGPZKQNFMRY-QGZVFWFLSA-N
MW416.40 g/mol
LogP3.40
Rot. Bonds4

About (5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole

(5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole (PubChem CID 142918719) has the molecular formula C18H16F4N2O3S and a molecular weight of 416.40 g/mol. Its IUPAC name is (5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole.

Molecular Properties

Compound Name(5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole
PubChem CID142918719
Molecular FormulaC18H16F4N2O3S
Molecular Weight416.40 g/mol
Exact Mass416.08
IUPAC Name(5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole
SMILESCOc1ccc(C2=N[C@@](C(F)(F)F)(S(C)(=O)=O)CN2c2ccccc2)cc1F
InChIInChI=1S/C18H16F4N2O3S/c1-27-15-9-8-12(10-14(15)19)16-23-17(18(20,21)22,28(2,25)26)11-24(16)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3/t17-/m1/s1
InChIKeyLOPFGPZKQNFMRY-QGZVFWFLSA-N
XLogP3.40
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole?
The IUPAC name of (5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole (CID 142918719) is (5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole.
What is the SMILES notation for (5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole?
The canonical SMILES for (5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole is COc1ccc(C2=N[C@@](C(F)(F)F)(S(C)(=O)=O)CN2c2ccccc2)cc1F.
What is the InChIKey of (5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole?
The InChIKey is LOPFGPZKQNFMRY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16F4N2O3S/c1-27-15-9-8-12(10-14(15)19)16-23-17(18(20,21)22,28(2,25)26)11-24(16)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3/t17-/m1/s1.
What are the key properties of (5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole?
(5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole has a molecular weight of 416.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole is sourced from PubChem (CID 142918719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).