4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide

C20H22N4O3S — CID 25345819

IUPAC4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1
InChIInChI=1S/C20H22N4O3S/c1-3-22(4-2)28(26,27)16-11-9-15(10-12-16)19(25)24-14-13-23-18-8-6-5-7-17(18)21-20(23)24/h5-12H,3-4,13-14H2,1-2H3
InChIKeyCFKPTSYJQCBUOC-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.73
Rot. Bonds5

About 4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide

4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide (PubChem CID 25345819) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide
PubChem CID25345819
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1
InChIInChI=1S/C20H22N4O3S/c1-3-22(4-2)28(26,27)16-11-9-15(10-12-16)19(25)24-14-13-23-18-8-6-5-7-17(18)21-20(23)24/h5-12H,3-4,13-14H2,1-2H3
InChIKeyCFKPTSYJQCBUOC-UHFFFAOYSA-N
XLogP2.73
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 2435970
4-(2-benzylsulfanyl-4,5-dihydroimidazole-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 4600196
N,N-diethyl-4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)benzenesulfonamide
CID 110424746
4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
CID 7408843
4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 26665047
N-[4-(diethylsulfamoyl)phenyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4843555
ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 9093923
4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 49064767
N,N-diethyl-4-[4-(1-ethylimidazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 25284951
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
N,N-diethyl-4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 30868024
4-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazole-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 3314470

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide (CID 25345819) is 4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1.
What is the InChIKey of 4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide?
The InChIKey is CFKPTSYJQCBUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-3-22(4-2)28(26,27)16-11-9-15(10-12-16)19(25)24-14-13-23-18-8-6-5-7-17(18)21-20(23)24/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide?
4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 25345819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).