[3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine

C18H15F4N3O2S — CID 172840672

IUPAC[3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
SMILESCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cc(F)cc(CN)c2)cc1
InChIInChI=1S/C18H15F4N3O2S/c1-28(26,27)15-4-2-14(3-5-15)25-10-16(18(20,21)22)24-17(25)12-6-11(9-23)7-13(19)8-12/h2-8,10H,9,23H2,1H3
InChIKeyWTDOUHRTSZVJMQ-UHFFFAOYSA-N
MW413.40 g/mol
LogP3.56
Rot. Bonds4

About [3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine

[3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine (PubChem CID 172840672) has the molecular formula C18H15F4N3O2S and a molecular weight of 413.40 g/mol. Its IUPAC name is [3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
PubChem CID172840672
Molecular FormulaC18H15F4N3O2S
Molecular Weight413.40 g/mol
Exact Mass413.08
IUPAC Name[3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
SMILESCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cc(F)cc(CN)c2)cc1
InChIInChI=1S/C18H15F4N3O2S/c1-28(26,27)15-4-2-14(3-5-15)25-10-16(18(20,21)22)24-17(25)12-6-11(9-23)7-13(19)8-12/h2-8,10H,9,23H2,1H3
InChIKeyWTDOUHRTSZVJMQ-UHFFFAOYSA-N
XLogP3.56
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-difluoro-4-methylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
CID 22998271
2-(3-fluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
CID 11794412
ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142958750
ethane;1-(4-methylsulfonylphenyl)-2-phenyl-4-(trifluoromethyl)imidazole
CID 143007243
3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
CID 18673561
2-(3-methylsulfanylphenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
CID 10764155
2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
CID 15908407
4-[2-(3-chloro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 22643554
ethane;4-[2-(4-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142982508
4-[2-(4-chloro-3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 10621806
1-chloro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]-2H-pyrimidine
CID 139827326
4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 22998040

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The IUPAC name of [3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine (CID 172840672) is [3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine is CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cc(F)cc(CN)c2)cc1.
What is the InChIKey of [3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
The InChIKey is WTDOUHRTSZVJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O2S/c1-28(26,27)15-4-2-14(3-5-15)25-10-16(18(20,21)22)24-17(25)12-6-11(9-23)7-13(19)8-12/h2-8,10H,9,23H2,1H3.
What are the key properties of [3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine?
[3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine has a molecular weight of 413.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 172840672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).