2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole

C18H14F4N2O3S — CID 10136509

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCOc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H14F4N2O3S/c1-27-15-8-3-11(9-14(15)19)17-23-16(18(20,21)22)10-24(17)12-4-6-13(7-5-12)28(2,25)26/h3-10H,1-2H3
InChIKeyUFSJAWLGOHKVBH-UHFFFAOYSA-N
MW414.38 g/mol
LogP4.11
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole

2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (PubChem CID 10136509) has the molecular formula C18H14F4N2O3S and a molecular weight of 414.38 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
PubChem CID10136509
Molecular FormulaC18H14F4N2O3S
Molecular Weight414.38 g/mol
Exact Mass414.07
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCOc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1F
InChIInChI=1S/C18H14F4N2O3S/c1-27-15-8-3-11(9-14(15)19)17-23-16(18(20,21)22)10-24(17)12-4-6-13(7-5-12)28(2,25)26/h3-10H,1-2H3
InChIKeyUFSJAWLGOHKVBH-UHFFFAOYSA-N
XLogP4.11
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (CID 10136509) is 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is COc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The InChIKey is UFSJAWLGOHKVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O3S/c1-27-15-8-3-11(9-14(15)19)17-23-16(18(20,21)22)10-24(17)12-4-6-13(7-5-12)28(2,25)26/h3-10H,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole has a molecular weight of 414.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 10136509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).