3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole

C16H12F3N3O2S — CID 25334486

IUPAC3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)11-4-3-5-12(10-11)25(23,24)22-9-8-21-14-7-2-1-6-13(14)20-15(21)22/h1-7,10H,8-9H2
InChIKeyHPCKGIOGUWTMSA-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.26
Rot. Bonds2

About 3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole

3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 25334486) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID25334486
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC Name3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)11-4-3-5-12(10-11)25(23,24)22-9-8-21-14-7-2-1-6-13(14)20-15(21)22/h1-7,10H,8-9H2
InChIKeyHPCKGIOGUWTMSA-UHFFFAOYSA-N
XLogP3.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole 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

2-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 154774053
2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylbenzimidazole
CID 20854187
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-one
CID 10709847
4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 121187233
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582835
1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 119975166
3-bromo-1-[3-(trifluoromethyl)phenyl]sulfonylindole
CID 141006407
1-(benzenesulfonyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazole
CID 2148737
1-[(1R)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30493587
1-(6-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3836694
5-(trifluoromethyl)-1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzotriazole
CID 1469581

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 25334486) is 3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCn2c1nc1ccccc12.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is HPCKGIOGUWTMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)11-4-3-5-12(10-11)25(23,24)22-9-8-21-14-7-2-1-6-13(14)20-15(21)22/h1-7,10H,8-9H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 367.35 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 25334486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).