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

C18H14F4N2OS — CID 4141117

IUPAC(2-fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN=C1SCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F4N2OS/c19-15-7-2-1-6-14(15)16(25)24-9-8-23-17(24)26-11-12-4-3-5-13(10-12)18(20,21)22/h1-7,10H,8-9,11H2
InChIKeyXWLKYJBEGKXQDJ-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.59
Rot. Bonds3

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

(2-fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 4141117) has the molecular formula C18H14F4N2OS and a molecular weight of 382.38 g/mol. Its IUPAC name is (2-fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID4141117
Molecular FormulaC18H14F4N2OS
Molecular Weight382.38 g/mol
Exact Mass382.08
IUPAC Name(2-fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN=C1SCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H14F4N2OS/c19-15-7-2-1-6-14(15)16(25)24-9-8-23-17(24)26-11-12-4-3-5-13(10-12)18(20,21)22/h1-7,10H,8-9,11H2
InChIKeyXWLKYJBEGKXQDJ-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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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone (CID 4141117) is (2-fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is O=C(c1ccccc1F)N1CCN=C1SCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2-fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is XWLKYJBEGKXQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2OS/c19-15-7-2-1-6-14(15)16(25)24-9-8-23-17(24)26-11-12-4-3-5-13(10-12)18(20,21)22/h1-7,10H,8-9,11H2.
What are the key properties of (2-fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone?
(2-fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]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-fluorophenyl)-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 4141117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).