[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C18H14F4N2OS — CID 3366344

IUPAC[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1ccccc1F
InChIInChI=1S/C18H14F4N2OS/c19-15-8-4-1-5-12(15)11-26-17-23-9-10-24(17)16(25)13-6-2-3-7-14(13)18(20,21)22/h1-8H,9-11H2
InChIKeyGIPQVDOXYLGGOJ-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.59
Rot. Bonds3

About [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 3366344) has the molecular formula C18H14F4N2OS and a molecular weight of 382.38 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID3366344
Molecular FormulaC18H14F4N2OS
Molecular Weight382.38 g/mol
Exact Mass382.08
IUPAC Name[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1ccccc1F
InChIInChI=1S/C18H14F4N2OS/c19-15-8-4-1-5-12(15)11-26-17-23-9-10-24(17)16(25)13-6-2-3-7-14(13)18(20,21)22/h1-8H,9-11H2
InChIKeyGIPQVDOXYLGGOJ-UHFFFAOYSA-N
XLogP4.59
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2,6-difluorophenyl)methanone
CID 4612087
1-(2-Fluorobenzoyl)-2-methylthio-2-imidazoline
CID 3236905
1-(2,6-difluorobenzoyl)-2-(methylthio)-4,5-dihydro-1H-imidazole
CID 3243830
Benzamide, N-(4,5-dihydro-2-thiazolyl)-2-methyl-N-(2-methylbenzoyl)-
CID 3058837
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-fluoro-N-(4-fluorobenzoyl)benzamide
CID 744046
(2-Methylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 3244879
1-[2-[(2,5-Dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-(4-fluorophenyl)ethanone
CID 3307440
(2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(2,6-difluorophenyl)methanone
CID 3605099
(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 4057190
(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 4112635
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(4-(trifluoromethyl)phenyl)methanone
CID 4114095
(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(4-(t
CID 4120746

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 3366344) is [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is GIPQVDOXYLGGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2OS/c19-15-8-4-1-5-12(15)11-26-17-23-9-10-24(17)16(25)13-6-2-3-7-14(13)18(20,21)22/h1-8H,9-11H2.
What are the key properties of [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 382.38 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 3366344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).