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

C23H21N3O2S — CID 138978909

IUPAC1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCc1ccc(S(=O)(=O)N2CC(c3cccc(C)c3)n3c2nc2ccccc23)cc1
InChIInChI=1S/C23H21N3O2S/c1-16-10-12-19(13-11-16)29(27,28)25-15-22(18-7-5-6-17(2)14-18)26-21-9-4-3-8-20(21)24-23(25)26/h3-14,22H,15H2,1-2H3
InChIKeyIAQRJFSVWDGMOT-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.45
Rot. Bonds3

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

1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 138978909) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID138978909
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCc1ccc(S(=O)(=O)N2CC(c3cccc(C)c3)n3c2nc2ccccc23)cc1
InChIInChI=1S/C23H21N3O2S/c1-16-10-12-19(13-11-16)29(27,28)25-15-22(18-7-5-6-17(2)14-18)26-21-9-4-3-8-20(21)24-23(25)26/h3-14,22H,15H2,1-2H3
InChIKeyIAQRJFSVWDGMOT-UHFFFAOYSA-N
XLogP4.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2S,4R)-4-(3-methylphenyl)-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 136671486
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830
3-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992749
(4R)-3-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992660
1-(4-methylphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]aziridine
CID 59485705
2-(4-fluorophenyl)-4-(3-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 3851461
(4R)-4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136744858
4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one
CID 102529446
1-(3-methylphenyl)sulfonyl-2-phenylbenzimidazole
CID 177397978
2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole
CID 134951055
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 138978909) is 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole is Cc1ccc(S(=O)(=O)N2CC(c3cccc(C)c3)n3c2nc2ccccc23)cc1.
What is the InChIKey of 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is IAQRJFSVWDGMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-16-10-12-19(13-11-16)29(27,28)25-15-22(18-7-5-6-17(2)14-18)26-21-9-4-3-8-20(21)24-23(25)26/h3-14,22H,15H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 403.51 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 138978909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).