2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole

C16H13F5N4S — CID 60606986

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole
SMILESFC(F)n1ccnc1CSc1ncc(-c2ccccc2)n1CC(F)(F)F
InChIInChI=1S/C16H13F5N4S/c17-14(18)24-7-6-22-13(24)9-26-15-23-8-12(11-4-2-1-3-5-11)25(15)10-16(19,20)21/h1-8,14H,9-10H2
InChIKeyKPWJGRQOPTWDRY-UHFFFAOYSA-N
MW388.37 g/mol
LogP5.00
Rot. Bonds6

About 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole

2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole (PubChem CID 60606986) has the molecular formula C16H13F5N4S and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole
PubChem CID60606986
Molecular FormulaC16H13F5N4S
Molecular Weight388.37 g/mol
Exact Mass388.08
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole
SMILESFC(F)n1ccnc1CSc1ncc(-c2ccccc2)n1CC(F)(F)F
InChIInChI=1S/C16H13F5N4S/c17-14(18)24-7-6-22-13(24)9-26-15-23-8-12(11-4-2-1-3-5-11)25(15)10-16(19,20)21/h1-8,14H,9-10H2
InChIKeyKPWJGRQOPTWDRY-UHFFFAOYSA-N
XLogP5.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

Analyze 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole with MolForge

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

Launch Full Analysis

Related Compounds

1-phenyl-5-[[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-triazole
CID 138038597
2-methylsulfanyl-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole
CID 60607055
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]aniline
CID 43144094
3-cyclobutyl-4-methyl-5-[[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-triazole
CID 138038666
3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide
CID 166211838
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 24562089
4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 24562093
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 24601221
3-(4-chlorophenyl)-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazole
CID 24562112
3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]phenol
CID 113430077
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methylaniline
CID 79142305
1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole
CID 24562217

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole (CID 60606986) is 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole is FC(F)n1ccnc1CSc1ncc(-c2ccccc2)n1CC(F)(F)F.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole?
The InChIKey is KPWJGRQOPTWDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N4S/c17-14(18)24-7-6-22-13(24)9-26-15-23-8-12(11-4-2-1-3-5-11)25(15)10-16(19,20)21/h1-8,14H,9-10H2.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole?
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole has a molecular weight of 388.37 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole is sourced from PubChem (CID 60606986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).