[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C18H13Cl2F3N2OS — CID 3378035

IUPAC[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl2F3N2OS/c19-14-6-5-11(9-15(14)20)10-27-17-24-7-8-25(17)16(26)12-3-1-2-4-13(12)18(21,22)23/h1-6,9H,7-8,10H2
InChIKeyIHXCLMCXYPVPPH-UHFFFAOYSA-N
MW433.28 g/mol
LogP5.76
Rot. Bonds3

About [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 3378035) has the molecular formula C18H13Cl2F3N2OS and a molecular weight of 433.28 g/mol. Its IUPAC name is [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID3378035
Molecular FormulaC18H13Cl2F3N2OS
Molecular Weight433.28 g/mol
Exact Mass432.01
IUPAC Name[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl2F3N2OS/c19-14-6-5-11(9-15(14)20)10-27-17-24-7-8-25(17)16(26)12-3-1-2-4-13(12)18(21,22)23/h1-6,9H,7-8,10H2
InChIKeyIHXCLMCXYPVPPH-UHFFFAOYSA-N
XLogP5.76
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.28
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 3378035) is [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is IHXCLMCXYPVPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3N2OS/c19-14-6-5-11(9-15(14)20)10-27-17-24-7-8-25(17)16(26)12-3-1-2-4-13(12)18(21,22)23/h1-6,9H,7-8,10H2.
What are the key properties of [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 433.28 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 3378035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).