1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole

C20H23N3O3S — CID 121193881

IUPAC1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole
SMILESCCOc1ccc(S(=O)(=O)N2CCC(n3cnc4ccccc43)C2)cc1C
InChIInChI=1S/C20H23N3O3S/c1-3-26-20-9-8-17(12-15(20)2)27(24,25)22-11-10-16(13-22)23-14-21-18-6-4-5-7-19(18)23/h4-9,12,14,16H,3,10-11,13H2,1-2H3
InChIKeyQLJXOEVSCSBZHN-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.38
Rot. Bonds5

About 1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole

1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole (PubChem CID 121193881) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole.

Molecular Properties

Compound Name1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole
PubChem CID121193881
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole
SMILESCCOc1ccc(S(=O)(=O)N2CCC(n3cnc4ccccc43)C2)cc1C
InChIInChI=1S/C20H23N3O3S/c1-3-26-20-9-8-17(12-15(20)2)27(24,25)22-11-10-16(13-22)23-14-21-18-6-4-5-7-19(18)23/h4-9,12,14,16H,3,10-11,13H2,1-2H3
InChIKeyQLJXOEVSCSBZHN-UHFFFAOYSA-N
XLogP3.38
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]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-[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892680
1-(4-ethoxy-3-methylphenyl)sulfonylbenzimidazole
CID 2147477
3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine
CID 90587901
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
CID 66486200
1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 23641500
dimethyl 5-[3-(benzimidazol-1-yl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate
CID 154859167
(2S)-4-(4-ethoxy-3-methylphenyl)sulfonyl-2-phenylmorpholine
CID 25281418
1-[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
CID 121193826
4-(4-ethoxy-3-methylphenyl)sulfonyl-7-(2-methylphenyl)-1,4-thiazepane
CID 90631515
4-(4-ethoxy-3-methylphenyl)sulfonyl-7-phenyl-1,4-thiazepane
CID 90629655
2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150721
1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2985818

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole?
The IUPAC name of 1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole (CID 121193881) is 1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole.
What is the SMILES notation for 1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole?
The canonical SMILES for 1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole is CCOc1ccc(S(=O)(=O)N2CCC(n3cnc4ccccc43)C2)cc1C.
What is the InChIKey of 1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole?
The InChIKey is QLJXOEVSCSBZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-3-26-20-9-8-17(12-15(20)2)27(24,25)22-11-10-16(13-22)23-14-21-18-6-4-5-7-19(18)23/h4-9,12,14,16H,3,10-11,13H2,1-2H3.
What are the key properties of 1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole?
1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole has a molecular weight of 385.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole is sourced from PubChem (CID 121193881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).