1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole

C14H15F3N2S — CID 67982105

IUPAC1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole
SMILESCC(C)Sc1cccc(C(F)(F)F)c1-c1nccn1C
InChIInChI=1S/C14H15F3N2S/c1-9(2)20-11-6-4-5-10(14(15,16)17)12(11)13-18-7-8-19(13)3/h4-9H,1-3H3
InChIKeyUVGHMXYQTBVRKE-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.61
Rot. Bonds3

About 1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole

1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole (PubChem CID 67982105) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole
PubChem CID67982105
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole
SMILESCC(C)Sc1cccc(C(F)(F)F)c1-c1nccn1C
InChIInChI=1S/C14H15F3N2S/c1-9(2)20-11-6-4-5-10(14(15,16)17)12(11)13-18-7-8-19(13)3/h4-9H,1-3H3
InChIKeyUVGHMXYQTBVRKE-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole (CID 67982105) is 1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole is CC(C)Sc1cccc(C(F)(F)F)c1-c1nccn1C.
What is the InChIKey of 1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole?
The InChIKey is UVGHMXYQTBVRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-9(2)20-11-6-4-5-10(14(15,16)17)12(11)13-18-7-8-19(13)3/h4-9H,1-3H3.
What are the key properties of 1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole?
1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole has a molecular weight of 300.35 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-propan-2-ylsulfanyl-6-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 67982105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).