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

C15H15F3N2OS — CID 4143790

IUPACcyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(C1CC1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2OS/c16-15(17,18)12-5-1-10(2-6-12)9-22-14-19-7-8-20(14)13(21)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2
InChIKeyFLLPJLJVAXCYAQ-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.55
Rot. Bonds3

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

cyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 4143790) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is cyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID4143790
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC Namecyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(C1CC1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2OS/c16-15(17,18)12-5-1-10(2-6-12)9-22-14-19-7-8-20(14)13(21)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2
InChIKeyFLLPJLJVAXCYAQ-UHFFFAOYSA-N
XLogP3.55
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Imidazoline, 1-acetyl-2-((p-fluorobenzyl)thio)-
CID 43541
Cyclopropyl-[2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 3238325
1-(2-((3-(trifluoromethyl)benzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
CID 3242006
1-(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
CID 3609825
1-[2-[(2-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4101503
cyclopropyl(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 4230313
(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-cyclopropylmethanone
CID 4547450
(2-((2-chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(cyclopropyl)methanone
CID 5085871
1-[2-[(3-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4092915
1-[2-[[3-(Trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one
CID 4419939
1-[2-[(3-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]propan-1-one
CID 5212505
cyclopropyl(2-((4-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 3238949

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 4143790) is cyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is O=C(C1CC1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of cyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is FLLPJLJVAXCYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c16-15(17,18)12-5-1-10(2-6-12)9-22-14-19-7-8-20(14)13(21)11-3-4-11/h1-2,5-6,11H,3-4,7-9H2.
What are the key properties of cyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
cyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 328.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 4143790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).