N-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C21H23FN4O3S — CID 17410814

IUPACN-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCCCn1cnc2ccccc21)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O3S/c22-16-8-10-17(11-9-16)30(28,29)26-14-3-7-20(26)21(27)23-12-4-13-25-15-24-18-5-1-2-6-19(18)25/h1-2,5-6,8-11,15,20H,3-4,7,12-14H2,(H,23,27)
InChIKeyJZGKIMPXNBZKPI-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.54
Rot. Bonds7

About N-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 17410814) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID17410814
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCCCn1cnc2ccccc21)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O3S/c22-16-8-10-17(11-9-16)30(28,29)26-14-3-7-20(26)21(27)23-12-4-13-25-15-24-18-5-1-2-6-19(18)25/h1-2,5-6,8-11,15,20H,3-4,7,12-14H2,(H,23,27)
InChIKeyJZGKIMPXNBZKPI-UHFFFAOYSA-N
XLogP2.54
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide 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

N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide
CID 2836732
N-{4-[4-(5-Fluoro-benzoimidazol-1-yl)-piperidine-1-sulfonyl]-phenyl}-acetamide
CID 656283
N-{4-[4-(1-Isobutyl-1H-benzoimidazol-2-yl)-piperazine-1-sulfonyl]-phenyl}-acetamide
CID 1462264
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-(benzimidazol-1-yl)ethanone
CID 2113223
2-[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]-N-methylsulfonyl-acetamide
CID 15956455
N-[2-[5-(benzenesulfonamido)-1-methylbenzimidazol-2-yl]ethyl]acetamide
CID 1253267
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4831368
2-(benzenesulfonamido)-4-(1H-benzimidazol-2-yl)butanamide
CID 323633
4-fluoro-N-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]benzene-1-sulfonamide
CID 1447983
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2952399
2-[2-(butylamino)benzimidazol-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4882521
2-(benzimidazol-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7545139

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 17410814) is N-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NCCCn1cnc2ccccc21)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is JZGKIMPXNBZKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c22-16-8-10-17(11-9-16)30(28,29)26-14-3-7-20(26)21(27)23-12-4-13-25-15-24-18-5-1-2-6-19(18)25/h1-2,5-6,8-11,15,20H,3-4,7,12-14H2,(H,23,27).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 17410814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).