6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole

C18H16F3N3O3S — CID 177484359

IUPAC6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCOc1ccc2c(c1)nc1n2CC(C(F)(F)F)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H16F3N3O3S/c1-11-3-6-13(7-4-11)28(25,26)24-16(18(19,20)21)10-23-15-8-5-12(27-2)9-14(15)22-17(23)24/h3-9,16H,10H2,1-2H3
InChIKeyHLGGJUOUQDWZOL-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.49
Rot. Bonds3

About 6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole

6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 177484359) has the molecular formula C18H16F3N3O3S and a molecular weight of 411.41 g/mol. Its IUPAC name is 6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID177484359
Molecular FormulaC18H16F3N3O3S
Molecular Weight411.41 g/mol
Exact Mass411.09
IUPAC Name6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCOc1ccc2c(c1)nc1n2CC(C(F)(F)F)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H16F3N3O3S/c1-11-3-6-13(7-4-11)28(25,26)24-16(18(19,20)21)10-23-15-8-5-12(27-2)9-14(15)22-17(23)24/h3-9,16H,10H2,1-2H3
InChIKeyHLGGJUOUQDWZOL-UHFFFAOYSA-N
XLogP3.49
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-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

(2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine
CID 11448470
7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 44723602
(2R)-4-bromo-3-iodo-2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 139091569
2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole
CID 134951055
3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole
CID 11339335
2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole
CID 134951056
2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
CID 102128726
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one
CID 110169571
2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2858670
5-methoxy-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 14403889
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 177484359) is 6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole is COc1ccc2c(c1)nc1n2CC(C(F)(F)F)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is HLGGJUOUQDWZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3S/c1-11-3-6-13(7-4-11)28(25,26)24-16(18(19,20)21)10-23-15-8-5-12(27-2)9-14(15)22-17(23)24/h3-9,16H,10H2,1-2H3.
What are the key properties of 6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole?
6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 411.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 177484359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).