1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole

C27H19F3N2S2 — CID 143695689

IUPAC1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole
SMILESCSc1cccc(-c2ccc(-n3cc(-c4ccsc4)nc3-c3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C27H19F3N2S2/c1-33-22-6-4-5-19(15-22)18-9-11-21(12-10-18)32-16-25(20-13-14-34-17-20)31-26(32)23-7-2-3-8-24(23)27(28,29)30/h2-17H,1H3
InChIKeyQIUYNDRIZQJXAW-UHFFFAOYSA-N
MW492.59 g/mol
LogP8.68
Rot. Bonds5

About 1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole

1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole (PubChem CID 143695689) has the molecular formula C27H19F3N2S2 and a molecular weight of 492.59 g/mol. Its IUPAC name is 1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole
PubChem CID143695689
Molecular FormulaC27H19F3N2S2
Molecular Weight492.59 g/mol
Exact Mass492.09
IUPAC Name1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole
SMILESCSc1cccc(-c2ccc(-n3cc(-c4ccsc4)nc3-c3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C27H19F3N2S2/c1-33-22-6-4-5-19(15-22)18-9-11-21(12-10-18)32-16-25(20-13-14-34-17-20)31-26(32)23-7-2-3-8-24(23)27(28,29)30/h2-17H,1H3
InChIKeyQIUYNDRIZQJXAW-UHFFFAOYSA-N
XLogP8.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.59
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(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

Related Compounds

4-{[4-(thiophen-3-yl)-1H-imidazol-1-yl]methyl}aniline
CID 6539902
1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539907
1-[(2-methylphenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole
CID 962311
1-(4-Difluoromethylsulfanyl-phenyl)-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005517
1-(4-Difluoromethylsulfanyl-phenyl)-3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005519
1-(4-Methanesulfonyl-phenyl)-2-o-tolyl-4-trifluoromethyl-1H-imidazole
CID 10452350
4-[5-(4-Fluorophenyl)-3-(3-methylsulfanylphenyl)imidazol-4-yl]pyridine
CID 10546528
4-[5-(4-Fluorophenyl)-3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridine
CID 10546529
4-[5-(4-Fluorophenyl)-3-(3-phenylsulfanylpropyl)imidazol-4-yl]pyridine
CID 10668078
2-[[1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 14013470
4-[5-(4-Fluoro-phenyl)-3-methyl-2-(4-methylsulfanyl-phenyl)-3H-imidazol-4-yl]-pyridine
CID 20674619
Disubstituted imidazole 27
CID 6539909

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole (CID 143695689) is 1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole is CSc1cccc(-c2ccc(-n3cc(-c4ccsc4)nc3-c3ccccc3C(F)(F)F)cc2)c1.
What is the InChIKey of 1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole?
The InChIKey is QIUYNDRIZQJXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N2S2/c1-33-22-6-4-5-19(15-22)18-9-11-21(12-10-18)32-16-25(20-13-14-34-17-20)31-26(32)23-7-2-3-8-24(23)27(28,29)30/h2-17H,1H3.
What are the key properties of 1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole?
1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole has a molecular weight of 492.59 g/mol, XLogP of 8.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylsulfanylphenyl)phenyl]-4-thiophen-3-yl-2-[2-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 143695689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).