1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole

C18H14ClF3N2S — CID 21402206

IUPAC1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole
SMILESFC(F)(F)c1ccccc1C(Cn1ccnc1)Sc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClF3N2S/c19-13-5-7-14(8-6-13)25-17(11-24-10-9-23-12-24)15-3-1-2-4-16(15)18(20,21)22/h1-10,12,17H,11H2
InChIKeyBCUFOFDKMCBOSI-UHFFFAOYSA-N
MW382.84 g/mol
LogP6.09
Rot. Bonds5

About 1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole

1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole (PubChem CID 21402206) has the molecular formula C18H14ClF3N2S and a molecular weight of 382.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole
PubChem CID21402206
Molecular FormulaC18H14ClF3N2S
Molecular Weight382.84 g/mol
Exact Mass382.05
IUPAC Name1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole
SMILESFC(F)(F)c1ccccc1C(Cn1ccnc1)Sc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClF3N2S/c19-13-5-7-14(8-6-13)25-17(11-24-10-9-23-12-24)15-3-1-2-4-16(15)18(20,21)22/h1-10,12,17H,11H2
InChIKeyBCUFOFDKMCBOSI-UHFFFAOYSA-N
XLogP6.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.84
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole (CID 21402206) is 1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole is FC(F)(F)c1ccccc1C(Cn1ccnc1)Sc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole?
The InChIKey is BCUFOFDKMCBOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2S/c19-13-5-7-14(8-6-13)25-17(11-24-10-9-23-12-24)15-3-1-2-4-16(15)18(20,21)22/h1-10,12,17H,11H2.
What are the key properties of 1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole?
1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole has a molecular weight of 382.84 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]ethyl]imidazole is sourced from PubChem (CID 21402206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).