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

C20H19F3N2O2S — CID 3442350

IUPAC(2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN=C1SCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O2S/c1-2-27-17-6-4-3-5-16(17)18(26)25-12-11-24-19(25)28-13-14-7-9-15(10-8-14)20(21,22)23/h3-10H,2,11-13H2,1H3
InChIKeyZOTFPVSRTMRBSZ-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.85
Rot. Bonds5

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

(2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 3442350) has the molecular formula C20H19F3N2O2S and a molecular weight of 408.45 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID3442350
Molecular FormulaC20H19F3N2O2S
Molecular Weight408.45 g/mol
Exact Mass408.11
IUPAC Name(2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN=C1SCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O2S/c1-2-27-17-6-4-3-5-16(17)18(26)25-12-11-24-19(25)28-13-14-7-9-15(10-8-14)20(21,22)23/h3-10H,2,11-13H2,1H3
InChIKeyZOTFPVSRTMRBSZ-UHFFFAOYSA-N
XLogP4.85
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(2-ethoxyphenyl)methanone
CID 4572713
(2-chlorophenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3644391
(2-ethoxyphenyl)-[2-[(3-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4114598
[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-ethoxyphenyl)methanone
CID 3390283
(3,4-diethoxyphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 5176571
(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 4638818
(5-chloro-2-nitrophenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4065405
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 4055617
(2-ethylsulfanyl-4,5-dihydroimidazol-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4585995
(4-phenylphenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4172307
1-(2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-fluorophenyl)ethanone
CID 3669097
(2-methylphenyl)-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4997936

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 3442350) is (2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is CCOc1ccccc1C(=O)N1CCN=C1SCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is ZOTFPVSRTMRBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2S/c1-2-27-17-6-4-3-5-16(17)18(26)25-12-11-24-19(25)28-13-14-7-9-15(10-8-14)20(21,22)23/h3-10H,2,11-13H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
(2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 408.45 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 3442350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).